L1P3BD -OEChem-05032301072D 92 97 0 1 0 0 0 0 0999 V2000 9.9078 -0.4191 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.8238 -0.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.0124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4781 2.2082 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 14.6428 0.7992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4508 2.7308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0987 0.9822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0605 1.5037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4672 2.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0659 1.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8794 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8849 3.1217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6482 0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4836 2.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0495 1.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0769 1.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2305 -0.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0440 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2251 0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5769 0.3241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8129 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6318 1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8630 3.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4453 2.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8074 -0.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6263 1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2141 0.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4066 -1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -1.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2482 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4433 -1.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8670 -0.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -1.5332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 0.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5022 -2.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -0.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -3.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -3.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8083 0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9812 2.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8979 2.8632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5087 1.1274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2368 0.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4367 3.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7085 3.8222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 3.7402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2833 3.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0910 0.4229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8191 0.0987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5269 2.7221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8820 2.2536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0927 2.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4479 1.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0008 1.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6456 1.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1935 0.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5607 -1.2807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2674 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3646 3.9042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4985 4.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3614 3.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5101 2.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0619 2.9001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3805 3.4519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8785 1.6792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1479 -2.0253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4938 0.9979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8058 -1.8639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4833 -0.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5094 -2.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -0.1795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -1.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -1.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9502 -3.6183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3460 -2.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.5074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.5789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5597 -3.0041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3361 -3.8519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1839 -4.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 34 1 0 0 0 0 3 37 1 0 0 0 0 4 34 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 18 1 0 0 0 0 8 23 2 0 0 0 0 9 40 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 6 0 0 0 10 48 1 0 0 0 0 11 13 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 16 18 1 0 0 0 0 16 59 1 0 0 0 0 16 60 1 0 0 0 0 17 20 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 22 2 0 0 0 0 19 21 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 65 1 0 0 0 0 23 29 1 0 0 0 0 24 28 1 0 0 0 0 24 66 1 0 0 0 0 25 30 2 0 0 0 0 25 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 27 73 1 0 0 0 0 28 31 1 0 0 0 0 28 33 2 0 0 0 0 29 32 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 74 1 0 0 0 0 31 35 2 0 0 0 0 32 36 1 0 0 0 0 32 75 1 0 0 0 0 33 38 1 0 0 0 0 33 76 1 0 0 0 0 35 39 1 0 0 0 0 35 77 1 0 0 0 0 36 37 2 0 0 0 0 36 41 1 0 0 0 0 37 42 1 0 0 0 0 38 39 2 0 0 0 0 38 78 1 0 0 0 0 39 79 1 0 0 0 0 40 42 2 0 0 0 0 40 43 1 0 0 0 0 41 43 2 0 0 0 0 41 80 1 0 0 0 0 42 81 1 0 0 0 0 43 82 1 0 0 0 0 44 46 1 0 0 0 0 44 83 1 0 0 0 0 44 84 1 0 0 0 0 45 47 1 0 0 0 0 45 85 1 0 0 0 0 45 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 46 89 1 0 0 0 0 47 90 1 0 0 0 0 47 91 1 0 0 0 0 47 92 1 0 0 0 0 M END $$$$