B5DEP4 -OEChem-04042106143D 52 54 0 1 0 0 0 0 0999 V2000 3.1353 -1.3113 -3.1662 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8999 2.6156 0.9097 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 2.8853 2.4942 F 0 0 0 0 0 0 0 0 0 0 0 0 5.6117 1.0565 2.4106 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 -2.5891 0.0690 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2318 2.3877 0.0933 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2591 0.7719 -0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2643 0.0006 0.4549 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 1.0229 -1.7788 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 3.2647 -1.6503 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1584 -1.2901 0.2607 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8283 -1.1425 0.5712 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 1.0176 -0.3745 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -0.1416 -1.1584 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5458 0.3708 -0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9273 1.3383 0.7920 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4547 -1.0892 -0.4664 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -0.9070 -2.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9878 1.9876 1.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9063 -2.2745 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.7608 -0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 2.1469 -1.1475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0032 -3.1314 0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1968 -1.6178 0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6485 -2.8029 0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 -4.3989 1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 -0.1537 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2644 -0.1014 -0.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0102 0.9595 -0.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -1.0844 0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9109 -0.0234 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9641 1.1320 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4028 0.9888 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5835 0.8733 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 0.9025 -0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0642 -0.4393 0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2006 0.8366 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6819 -1.7862 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7847 -0.2567 -2.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7826 0.1580 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0563 -3.4699 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1051 -4.9601 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0713 -4.1788 2.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6525 -5.0507 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 3.2614 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0807 4.1290 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7539 -1.9673 0.7331 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5755 1.8051 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6139 -1.9231 1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6099 2.0409 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7834 1.2281 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6309 0.7707 0.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 22 1 0 0 0 0 7 27 2 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 14 1 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 24 1 0 0 0 0 11 27 1 0 0 0 0 11 47 1 0 0 0 0 12 28 1 0 0 0 0 12 30 2 0 0 0 0 13 29 1 0 0 0 0 13 31 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 40 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 32 33 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 34 3 0 0 0 0 34 52 1 0 0 0 0 M END $$$$