L3GMQ5 -OEChem-05032301082D 171171 0 1 0 0 0 0 0999 V2000 34.9090 -1.4400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 36.6410 -2.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.4090 -2.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.4090 -0.5740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9808 -1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3827 -1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.7750 -0.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.4110 -1.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 50.6020 -2.4345 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 52.0801 -1.7764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.5801 -2.6424 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 -1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -1.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 43.5692 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.7032 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.4352 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.8372 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.3013 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.9711 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.1673 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1051 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.0333 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2391 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.8993 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3731 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 48.7654 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5070 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.6314 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6410 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.4974 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0429 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1769 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3109 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4449 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -1.4400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7224 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1865 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -1.9400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7128 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8468 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6506 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1147 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2487 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1707 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.9678 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 43.1017 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.3047 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.8338 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.0367 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.4386 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.2357 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 44.9027 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.6998 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 41.3697 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.5726 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 46.5658 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 45.7688 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.7066 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.5036 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 46.6348 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.4319 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.6376 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.8406 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 48.2979 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 47.5008 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.9745 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 38.7716 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 48.3668 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 49.1639 -1.9150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.9056 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1085 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 50.0299 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 49.2329 -0.4651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 35.7750 -0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.6444 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 34.4415 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 33.5754 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7784 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.9124 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.7094 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 0.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 52.6967 -1.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.9774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3239 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1210 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4511 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6540 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7880 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5851 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -1.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.5788 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2549 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4579 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.1113 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3143 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4483 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.2453 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8598 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7908 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9152 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.7162 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.5133 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6472 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.8502 -0.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 21 1 0 0 0 0 1 49 1 0 0 0 0 2 47 2 0 0 0 0 5 56 2 0 0 0 0 6 63 1 0 0 0 0 6154 1 0 0 0 0 7 63 2 0 0 0 0 8 71 1 0 0 0 0 8 78 1 0 0 0 0 9 70 1 0 0 0 0 9 79 1 0 0 0 0 10 65 2 0 0 0 0 11 67 2 0 0 0 0 12 68 1 0 0 0 0 12170 1 0 0 0 0 13 76 1 0 0 0 0 13 80 1 0 0 0 0 14 77 1 0 0 0 0 14 82 1 0 0 0 0 15 72 1 0 0 0 0 15171 1 0 0 0 0 16 68 2 0 0 0 0 17 69 2 0 0 0 0 18 72 2 0 0 0 0 19 73 2 0 0 0 0 20 75 2 0 0 0 0 21 47 1 0 0 0 0 21113 1 0 0 0 0 22 24 1 0 0 0 0 22 48 2 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24124 1 0 0 0 0 54 26 1 6 0 0 0 26 67 1 0 0 0 0 26131 1 0 0 0 0 27 56 1 0 0 0 0 27 66 1 0 0 0 0 27139 1 0 0 0 0 58 28 1 6 0 0 0 28 65 1 0 0 0 0 28142 1 0 0 0 0 29 57 1 0 0 0 0 29 73 1 0 0 0 0 29143 1 0 0 0 0 62 30 1 6 0 0 0 30 75 1 0 0 0 0 30146 1 0 0 0 0 31 69 1 0 0 0 0 31 74 1 0 0 0 0 31151 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 33 35 1 0 0 0 0 33 85 1 0 0 0 0 33 86 1 0 0 0 0 34 36 1 0 0 0 0 34 87 1 0 0 0 0 34 88 1 0 0 0 0 35 37 1 0 0 0 0 35 89 1 0 0 0 0 35 90 1 0 0 0 0 36 38 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 1 0 0 0 0 37 93 1 0 0 0 0 37 94 1 0 0 0 0 38 40 1 0 0 0 0 38 95 1 0 0 0 0 38 96 1 0 0 0 0 39 41 1 0 0 0 0 39 97 1 0 0 0 0 39 98 1 0 0 0 0 40 42 1 0 0 0 0 40 99 1 0 0 0 0 40100 1 0 0 0 0 41 43 1 0 0 0 0 41101 1 0 0 0 0 41102 1 0 0 0 0 42 44 1 0 0 0 0 42103 1 0 0 0 0 42104 1 0 0 0 0 43 45 1 0 0 0 0 43105 1 0 0 0 0 43106 1 0 0 0 0 44 46 1 0 0 0 0 44107 1 0 0 0 0 44108 1 0 0 0 0 45 47 1 0 0 0 0 45109 1 0 0 0 0 45110 1 0 0 0 0 46 48 1 0 0 0 0 46111 1 0 0 0 0 46112 1 0 0 0 0 49 50 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 50 51 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 51 56 1 0 0 0 0 51118 1 0 0 0 0 51119 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 53 55 1 0 0 0 0 53122 1 0 0 0 0 53123 1 0 0 0 0 54 63 1 0 0 0 0 54125 1 0 0 0 0 55 57 1 0 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 57128 1 0 0 0 0 57129 1 0 0 0 0 58 59 1 0 0 0 0 58 68 1 0 0 0 0 58130 1 0 0 0 0 59 64 1 0 0 0 0 59132 1 0 0 0 0 59133 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 60134 1 0 0 0 0 60135 1 0 0 0 0 61 65 1 0 0 0 0 61136 1 0 0 0 0 61137 1 0 0 0 0 62 72 1 0 0 0 0 62138 1 0 0 0 0 64 69 1 0 0 0 0 64140 1 0 0 0 0 64141 1 0 0 0 0 66 70 1 0 0 0 0 66144 1 0 0 0 0 66145 1 0 0 0 0 67 71 1 0 0 0 0 70147 1 0 0 0 0 70148 1 0 0 0 0 71149 1 0 0 0 0 71150 1 0 0 0 0 73 81 1 0 0 0 0 74 76 1 0 0 0 0 74152 1 0 0 0 0 74153 1 0 0 0 0 75 77 1 0 0 0 0 76155 1 0 0 0 0 76156 1 0 0 0 0 77157 1 0 0 0 0 77158 1 0 0 0 0 78 80 1 0 0 0 0 78159 1 0 0 0 0 78160 1 0 0 0 0 79 82 1 0 0 0 0 79161 1 0 0 0 0 79162 1 0 0 0 0 80163 1 0 0 0 0 80164 1 0 0 0 0 81165 1 0 0 0 0 81166 1 0 0 0 0 81167 1 0 0 0 0 82168 1 0 0 0 0 82169 1 0 0 0 0 M END $$$$