B2QKB3 -OEChem-04042103513D 68 72 0 1 0 0 0 0 0999 V2000 9.3144 1.1480 -1.4831 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5150 -2.2475 -0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5725 2.7409 1.4083 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9383 3.1640 -0.7164 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9117 2.8288 0.6528 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7114 -0.0453 0.4666 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0275 -1.4818 -0.0595 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5817 -0.1664 0.5557 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5356 -1.6746 0.2073 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7633 -0.5119 -0.4854 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8697 0.9782 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 0.8716 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0227 -2.5523 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 -3.0063 -0.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 -0.4214 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -0.6734 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 -0.0525 2.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -1.7523 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4544 -3.1858 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -1.9502 -0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1084 0.6065 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6163 0.4195 -0.4582 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6976 -2.0917 0.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 0.2634 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5401 -0.9911 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2435 0.3645 -0.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 1.8440 0.7539 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2129 1.3532 -0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9799 -1.1552 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0015 2.5571 -0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1438 -0.0573 0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9036 0.9701 -0.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6857 0.6476 -1.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3990 0.8652 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4256 2.3943 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -1.4171 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3472 -1.6569 1.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9327 -0.6007 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 0.9736 -1.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1749 1.9539 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0168 1.1146 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9129 1.6552 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0287 -3.3954 -0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8615 -2.9206 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5867 -3.8503 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0858 -3.0336 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2968 -0.0560 2.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 0.8782 2.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 -0.8726 2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2568 -2.2246 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4895 -3.4684 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 -4.0155 -0.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2389 1.4136 -0.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1122 -3.0782 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6181 1.1439 -0.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 -0.5780 -1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 2.1159 1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 3.3603 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2258 0.7979 0.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 -1.0666 0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3032 0.1522 1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6355 0.7629 -1.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2703 1.3229 -2.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9909 -0.3785 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9806 1.6119 -0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5825 1.0369 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7965 -0.1243 -0.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2515 3.6511 1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 29 2 0 0 0 0 3 35 1 0 0 0 0 3 68 1 0 0 0 0 4 35 2 0 0 0 0 5 27 2 0 0 0 0 5 30 1 0 0 0 0 6 29 1 0 0 0 0 6 31 1 0 0 0 0 6 59 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 36 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 18 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 19 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 23 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 24 2 0 0 0 0 22 53 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 29 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 M END $$$$