B2YMP7 -OEChem-04042105483D 62 65 0 1 0 0 0 0 0999 V2000 -1.5082 2.5501 -0.3656 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1137 5.1017 0.4326 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 -3.6783 2.5504 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 -0.5357 0.6498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 -0.7429 -2.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7294 -2.0677 -0.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2534 0.0693 -0.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5818 -0.2320 -0.6206 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4562 3.6966 -0.5545 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5944 0.4430 -1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 -0.4798 -0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7021 1.4445 -1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0563 -1.4818 -1.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4132 -2.1920 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4305 -1.3807 -0.8421 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6520 1.2042 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7283 -1.5720 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0414 2.7509 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0203 -2.5606 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9298 0.3285 -2.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -1.5773 -2.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 0.0361 -1.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 3.4594 -0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8058 -0.6631 -3.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2397 -3.2897 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2203 -2.2578 1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8067 -1.9692 2.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8943 -1.0306 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8261 4.8607 2.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3382 -3.7120 1.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 -3.0622 2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 3.2735 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 6.1697 2.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 4.3471 3.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 -3.4321 2.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1248 -1.8182 -0.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3331 -1.6681 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 -2.7980 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -3.4467 -0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5072 1.0185 -3.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0582 -2.3424 -2.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 0.4176 0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 -0.7279 -4.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7943 -3.8060 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2774 -2.0749 1.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6641 -1.3704 1.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 -1.4603 3.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6376 4.1279 2.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9733 -4.5592 1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7273 -3.4121 3.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 6.9588 2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8784 6.0325 3.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 6.5239 1.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0829 5.0509 3.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 4.2043 4.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6464 3.3792 2.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4469 -4.1637 3.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 -2.4319 2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 -3.5799 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4590 -0.9998 -1.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3217 -1.5883 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6738 -2.7243 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 23 1 0 0 0 0 2 29 1 0 0 0 0 3 26 1 0 0 0 0 3 35 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 22 2 0 0 0 0 6 28 1 0 0 0 0 6 36 1 0 0 0 0 7 28 2 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 8 42 1 0 0 0 0 9 32 3 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 20 2 0 0 0 0 11 13 2 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 25 2 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 15 37 1 0 0 0 0 16 22 1 0 0 0 0 17 27 2 0 0 0 0 18 23 2 0 0 0 0 18 32 1 0 0 0 0 19 26 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 24 1 0 0 0 0 20 40 1 0 0 0 0 21 24 2 0 0 0 0 21 41 1 0 0 0 0 24 43 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 31 1 0 0 0 0 27 47 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 29 48 1 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 M END $$$$