Mol:LBGPxpkk:CPYCT0008:16000BC12:16000BC12
76 72 0 0 0 0 0 0 0 0999 V2000 -2.5208 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 2.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 2.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 1.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2002 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7297 2.0591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2371 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4733 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7094 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9455 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5653 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1817 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5517 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 2.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 1.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5068 1.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 -0.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 -0.3752 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.3071 -0.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 0.3140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 1.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2971 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 1.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 1.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0778 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6959 1.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 1.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5517 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1443 1.7975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5652 1.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 1.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 1.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1234 1.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 1.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 -0.3752 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 0.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -1.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5261 -0.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9386 -1.0897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -2.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 -2.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 -1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7347 -1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -1.7196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4544 -0.0560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4544 -0.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 -0.9727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 -0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 -0.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 0.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 -2.6362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 -0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9823 0.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2391 -2.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 -2.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 4 1 0 5 6 1 0 7 8 1 0 9 10 1 0 11 12 1 0 5 13 1 0 5 14 1 0 14 15 1 0 15 16 1 0 7 16 1 0 7 17 1 0 17 18 1 0 18 19 1 0 9 19 1 0 9 20 1 0 20 21 1 0 21 22 1 0 11 22 1 0 11 23 1 0 2 3 1 0 1 23 1 0 24 28 1 1 24 26 1 0 27 29 1 0 29 30 1 0 29 31 2 0 29 32 1 0 28 33 1 0 30 34 1 0 35 36 1 0 37 38 1 0 40 41 1 0 35 42 1 0 35 43 1 0 43 44 1 0 44 45 1 0 37 45 1 0 37 46 1 0 46 47 1 0 47 48 1 0 39 48 1 0 39 49 1 0 49 50 1 0 50 51 1 0 40 51 1 0 40 52 1 0 39 53 1 0 26 27 1 0 33 52 1 0 24 25 1 1 54 55 2 0 54 56 1 0 54 58 1 0 57 59 1 0 58 59 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 60 64 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 65 70 1 0 60 71 1 0 61 72 1 0 62 67 1 0 66 73 2 0 70 74 1 0
M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 58 59 M SBL 1 2 54 55 M SMT 1 OCH2 M SBV 1 54 -0.8794 0.0000 M SBV 1 55 0.0034 -0.5722 S SKP 5 ID LBGPxpkk:CPYCT0008:16000BC12:16000BC12:01 FORMULA C57H123N3O13P2 EXACTMASS 1119.853114057 AVERAGEMASS 1120.546462 SMILES C(C1C)(C)C(N(C(=O)2)C=CC(N)N2)OC1 M END
