B2BKD3 -OEChem-04022115433D 57 60 0 1 0 0 0 0 0999 V2000 0.0825 0.7308 -2.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8768 3.3764 0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 0.6386 1.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -0.4586 1.4333 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3376 -1.0367 3.3486 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1168 -0.2232 -0.1253 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4775 -2.6512 0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 1.3141 -0.5977 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5839 1.1127 0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3112 0.6139 -1.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4641 -1.2206 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5712 -0.2519 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9614 2.8144 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1158 0.6782 0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -2.6217 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1310 -1.6528 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0376 0.1563 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 0.2333 -1.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 -0.3743 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0097 -3.9871 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0785 -0.1778 -2.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2871 -0.8119 -0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2161 -0.7003 -2.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 4.7744 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4606 -1.3581 -0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 5.3085 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -1.4222 1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3166 -0.9670 2.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6474 -1.8362 -0.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5218 1.3254 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2906 1.8504 -0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5326 -0.4593 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 1.0679 -2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5833 -0.9736 1.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 -1.3058 0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 0.4461 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8334 0.0623 1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 3.3070 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 2.9844 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7597 -2.9336 -0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5422 -3.3253 1.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2085 -1.6387 0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0024 -1.9026 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 -4.0154 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8346 -4.3085 -0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5517 -4.7216 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0496 -0.1046 -3.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0391 -1.0160 -2.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 5.2860 -0.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3423 4.9516 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 4.7968 2.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4715 5.1270 2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3266 6.3826 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3027 -1.8200 1.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3645 -2.6506 -1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0795 -1.0195 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4416 -2.2194 -0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 24 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 28 1 0 0 0 0 5 28 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 16 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 M END $$$$