B2X1KJ -OEChem-04022117293D 65 68 0 1 0 0 0 0 0999 V2000 -2.6527 -3.1553 -1.7259 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 2.4729 -1.8809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4868 1.0901 1.7742 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 -2.0272 -0.6961 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3025 -0.7898 -1.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 -2.7850 -1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -4.5113 -0.8447 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9086 -3.2415 -3.0267 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0193 1.0869 -0.0237 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4357 -1.3132 0.8681 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 3.2831 0.0158 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1295 2.8115 -2.1765 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 -0.9873 0.6012 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0911 -1.8063 1.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 2.5143 -0.0152 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8841 0.5017 0.8788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6983 -1.8651 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3812 2.7821 -0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8637 3.2594 -0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 3.7652 -0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -0.8950 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 -2.8891 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7827 2.5982 -0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5442 3.2705 -1.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 1.2095 1.3387 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 -1.1856 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9424 2.3046 0.9296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3463 0.4009 0.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5134 -0.9503 0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0812 -2.9441 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3979 1.8029 -1.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 -1.9748 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 0.7112 -0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8922 0.8996 2.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 -0.6942 0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7928 -1.5693 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6689 -0.1924 3.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2836 -0.9877 2.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 -1.1864 -0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0498 -1.4105 2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4662 -2.8337 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7185 2.8381 1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6031 0.5192 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6846 -1.5814 1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 4.3391 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 2.9318 -1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 3.0792 -0.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3282 4.2045 -1.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9856 4.5613 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0295 -0.0963 1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0953 -3.6474 -0.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 2.9311 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2367 -0.1934 0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -3.7603 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2823 2.0205 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 0.1050 -1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4204 1.5071 3.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6202 -1.3263 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4970 -1.7134 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1589 -0.7727 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7237 -2.5024 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7933 -0.4213 4.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8889 -1.8371 2.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7614 -3.2682 -2.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9230 -5.3560 -1.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 12 1 0 0 0 0 2 18 1 0 0 0 0 3 16 2 0 0 0 0 4 32 1 0 0 0 0 5 26 2 0 0 0 0 6 64 1 0 0 0 0 7 65 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 10 44 1 0 0 0 0 11 18 2 0 0 0 0 11 24 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 29 1 0 0 0 0 21 50 1 0 0 0 0 22 30 2 0 0 0 0 22 51 1 0 0 0 0 23 27 2 0 0 0 0 23 31 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 34 2 0 0 0 0 26 36 1 0 0 0 0 27 52 1 0 0 0 0 28 33 1 0 0 0 0 28 35 2 0 0 0 0 29 32 2 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 54 1 0 0 0 0 31 33 2 0 0 0 0 31 55 1 0 0 0 0 33 56 1 0 0 0 0 34 37 1 0 0 0 0 34 57 1 0 0 0 0 35 38 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 38 2 0 0 0 0 37 62 1 0 0 0 0 38 63 1 0 0 0 0 M END $$$$