B6P5EB -OEChem-04022106472D 89 93 0 1 0 0 0 0 0999 V2000 8.8495 0.1263 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 0.4582 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 12.7636 0.9512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5788 1.7235 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9913 -0.2335 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.0185 1.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4309 -0.5203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 -1.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2212 2.6911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2747 -4.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8066 0.5388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 0.9963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2282 -1.7747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6284 -5.4914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5639 -3.2633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 0.2520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2032 0.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -0.0799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9355 -0.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 -1.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9176 -2.7252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9570 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -2.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6284 -3.8820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6822 -4.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -1.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 -0.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5854 -3.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6822 -5.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 -4.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1602 1.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8161 -3.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 -2.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8161 -5.6867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1387 1.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4924 1.8212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 -4.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 -5.1867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5318 3.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4494 2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8030 2.7717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7815 2.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 4.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7851 0.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1746 5.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 4.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5068 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2176 4.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5283 5.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4388 0.8413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7296 0.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9719 1.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0637 0.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9561 -1.3182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5493 -0.7859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9717 0.8684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5035 -2.2638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9185 -2.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3252 -2.8441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8349 -1.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4291 1.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -2.3167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 0.4289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8320 -4.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 -6.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8161 -3.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -2.6508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 0.0948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8161 -6.3067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -1.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8857 1.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 -3.8767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9780 -3.7248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7565 -2.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 -5.4967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0787 3.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 4.1295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0560 2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 3.2332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9741 3.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7813 5.4643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6929 3.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6994 6.6701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 4.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 6.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 33 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 48 1 0 0 0 0 4 48 1 0 0 0 0 5 48 1 0 0 0 0 6 65 1 0 0 0 0 8 21 2 0 0 0 0 9 29 1 0 0 0 0 9 43 1 0 0 0 0 10 29 2 0 0 0 0 11 30 2 0 0 0 0 12 39 1 0 0 0 0 12 48 1 0 0 0 0 17 13 1 6 0 0 0 13 29 1 0 0 0 0 13 60 1 0 0 0 0 14 21 1 0 0 0 0 22 14 1 6 0 0 0 14 64 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 69 1 0 0 0 0 16 30 1 0 0 0 0 16 77 1 0 0 0 0 16 78 1 0 0 0 0 17 20 1 0 0 0 0 17 54 1 0 0 0 0 19 18 1 1 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 57 1 0 0 0 0 20 23 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 22 61 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 32 2 0 0 0 0 26 31 1 0 0 0 0 26 34 2 0 0 0 0 27 35 1 0 0 0 0 27 66 1 0 0 0 0 28 36 2 0 0 0 0 28 67 1 0 0 0 0 31 37 2 0 0 0 0 32 68 1 0 0 0 0 33 39 1 0 0 0 0 33 40 2 0 0 0 0 34 41 1 0 0 0 0 34 70 1 0 0 0 0 35 38 2 0 0 0 0 35 71 1 0 0 0 0 36 38 1 0 0 0 0 36 72 1 0 0 0 0 37 42 1 0 0 0 0 37 73 1 0 0 0 0 38 74 1 0 0 0 0 39 44 2 0 0 0 0 40 45 1 0 0 0 0 40 75 1 0 0 0 0 41 42 2 0 0 0 0 41 76 1 0 0 0 0 42 79 1 0 0 0 0 43 47 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 44 46 1 0 0 0 0 44 82 1 0 0 0 0 45 46 2 0 0 0 0 45 83 1 0 0 0 0 46 84 1 0 0 0 0 47 49 2 0 0 0 0 47 50 1 0 0 0 0 49 51 1 0 0 0 0 49 85 1 0 0 0 0 50 52 2 0 0 0 0 50 86 1 0 0 0 0 51 53 2 0 0 0 0 51 87 1 0 0 0 0 52 53 1 0 0 0 0 52 88 1 0 0 0 0 53 89 1 0 0 0 0 M END $$$$