B1ISW7 -OEChem-04012114593D 72 74 0 0 0 0 0 0 0999 V2000 -3.2675 -2.3282 0.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5121 -1.6911 -0.6901 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 1.8311 -0.2202 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9549 -0.7197 0.1669 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5102 1.8456 0.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7615 0.6444 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5646 2.6612 1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 1.0801 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7198 3.0297 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 1.3961 0.9273 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8815 0.9931 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6492 2.1955 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 0.5752 0.7744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6011 1.0021 -1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2771 0.2091 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0227 0.3924 0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5736 -0.1482 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7432 -0.4422 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3588 -0.4416 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 -2.0265 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4514 -3.0974 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2803 -1.5000 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7892 -2.8950 0.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.8225 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8508 0.8646 -0.0815 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1823 -1.0880 -0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6582 -1.2454 0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2250 1.1079 -0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1281 0.0544 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4569 -1.4366 0.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8271 2.4965 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 0.1157 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5187 -0.0743 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 2.0884 1.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0628 3.5786 1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2812 1.6794 -2.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 0.1700 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3755 3.5588 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4872 3.7255 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 0.5678 1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 2.2212 1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5721 0.1607 -0.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1308 1.8341 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1752 2.9624 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4654 2.6336 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 -0.2813 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4410 1.3966 1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4845 1.3425 -1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 0.2213 -1.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9757 -0.6357 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4727 1.0532 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4440 1.1435 1.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1301 0.0144 0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3919 -1.0211 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8489 0.6794 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9442 0.4405 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4712 -1.2591 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5593 -3.0734 -1.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0439 -4.0767 0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6966 -3.0423 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5027 -3.6341 0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8065 -1.7163 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2631 -0.0131 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1991 1.7293 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9374 -1.9045 -1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3689 -0.2095 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3719 -2.0605 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5885 2.1242 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1958 0.2458 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3080 -2.3317 0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7560 -0.6095 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3006 -1.9081 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 30 1 0 0 0 0 2 72 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 13 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 17 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 24 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 22 1 0 0 0 0 19 25 2 0 0 0 0 20 21 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 26 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 28 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 29 1 0 0 0 0 27 67 1 0 0 0 0 28 29 2 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 M END $$$$