KEGG:C09934 Cassinine ISISHOST03240423242D 1 1.00000 0.00000 8976 62 67 0 1 0 999 V2000 3.2335 -11.6332 0.0000 C 0 0 1 0 0 0 0 0 0 3.2370 -10.8305 0.0000 C 0 0 2 0 0 0 0 0 0 3.9259 -12.0324 0.0000 C 0 0 1 0 0 0 0 0 0 3.2703 -12.3939 0.0000 O 0 0 0 0 0 0 0 0 0 2.5487 -12.0290 0.0000 C 0 0 1 0 0 0 0 0 0 3.9328 -10.4346 0.0000 C 0 0 1 0 0 0 0 0 0 2.5487 -10.4311 0.0000 C 0 0 2 0 0 0 0 0 0 3.0793 -10.0561 0.0000 C 0 0 0 0 0 0 0 0 0 4.6176 -11.6366 0.0000 C 0 0 2 0 0 0 0 0 0 4.3630 -13.8156 0.0000 O 0 0 0 0 0 0 0 0 0 4.6086 -12.4042 0.0000 C 0 0 2 0 0 0 0 0 0 1.8570 -11.6332 0.0000 C 0 0 2 0 0 0 0 0 0 2.5418 -12.8241 0.0000 C 0 0 0 0 0 0 0 0 0 4.6210 -10.8374 0.0000 C 0 0 1 0 0 0 0 0 0 3.9259 -9.6395 0.0000 O 0 0 0 0 0 0 0 0 0 1.8570 -10.8305 0.0000 C 0 0 2 0 0 0 0 0 0 2.5418 -9.6361 0.0000 O 0 0 0 0 0 0 0 0 0 3.4126 -9.3436 0.0000 O 0 0 0 0 0 0 0 0 0 5.1547 -13.8156 0.0000 C 0 0 0 0 0 0 0 0 0 4.9177 -12.9639 0.0000 C 0 0 0 0 0 0 0 0 0 5.4038 -12.4042 0.0000 C 0 0 0 0 0 0 0 0 0 1.1681 -12.0221 0.0000 O 0 0 0 0 0 0 0 0 0 5.2988 -10.4311 0.0000 O 0 0 0 0 0 0 0 0 0 4.6072 -9.2367 0.0000 C 0 0 0 0 0 0 0 0 0 1.1715 -10.4311 0.0000 O 0 0 0 0 0 0 0 0 0 1.8536 -9.2367 0.0000 C 0 0 0 0 0 0 0 0 0 3.2168 -8.5770 0.0000 C 0 0 0 0 0 0 0 0 0 5.5540 -14.5081 0.0000 C 0 0 0 0 0 0 0 0 0 5.5505 -13.1240 0.0000 O 0 0 0 0 0 0 0 0 0 3.5335 -13.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0.3695 -12.0186 0.0000 C 0 0 0 0 0 0 0 0 0 5.9947 -10.8236 0.0000 C 0 0 0 0 0 0 0 0 0 5.2954 -9.6292 0.0000 C 0 0 0 0 0 0 0 0 0 4.6038 -8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0.4833 -10.8270 0.0000 C 0 0 0 0 0 0 0 0 0 1.1681 -9.6361 0.0000 C 0 0 0 0 0 0 0 0 0 1.8501 -8.4417 0.0000 O 0 0 0 0 0 0 0 0 0 3.6217 -7.8978 0.0000 C 0 0 0 0 0 0 0 0 0 2.4376 -8.4103 0.0000 O 0 0 0 0 0 0 0 0 0 5.1513 -15.1893 0.0000 C 0 0 0 0 0 0 0 0 0 6.3491 -14.5115 0.0000 C 0 0 0 0 0 0 0 0 0 2.7418 -13.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0.3661 -12.8138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4290 -12.0186 0.0000 O 0 0 0 0 0 0 0 0 0 6.6794 -10.4208 0.0000 O 0 0 0 0 0 0 0 0 0 5.9913 -11.6228 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2049 -10.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0.4799 -11.5430 0.0000 O 0 0 0 0 0 0 0 0 0 5.5471 -15.8810 0.0000 C 0 0 0 0 0 0 0 0 0 6.7484 -15.1997 0.0000 C 0 0 0 0 0 0 0 0 0 2.3460 -14.2971 0.0000 C 0 0 0 0 0 0 0 0 0 2.1319 -13.0858 0.0000 O 0 0 0 0 0 0 0 0 0 1.1612 -12.8138 0.0000 C 0 0 0 0 0 0 0 0 0 6.3422 -15.8879 0.0000 C 0 0 0 0 0 0 0 0 0 1.5543 -14.2971 0.0000 C 0 0 0 0 0 0 0 0 0 2.7453 -14.9853 0.0000 C 0 0 0 0 0 0 0 0 0 1.1620 -13.6158 0.0000 C 0 0 2 0 0 0 0 0 0 1.1620 -14.9853 0.0000 N 0 0 0 0 0 0 0 0 0 2.3460 -15.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0.3661 -13.6158 0.0000 C 0 0 0 0 0 0 0 0 0 1.5543 -15.6742 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0332 -14.2971 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 1 0 0 1 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 2 8 1 6 0 0 3 9 1 0 0 0 3 10 1 1 0 0 11 4 1 0 0 0 5 12 1 0 0 0 5 13 1 6 0 0 6 14 1 0 0 0 6 15 1 6 0 0 7 16 1 0 0 0 7 17 1 6 0 0 8 18 1 0 0 0 10 19 1 0 0 0 11 20 1 6 0 0 11 21 1 1 0 0 12 22 1 1 0 0 14 23 1 6 0 0 15 24 1 0 0 0 16 25 1 6 0 0 17 26 1 0 0 0 18 27 1 0 0 0 19 28 1 0 0 0 19 29 2 0 0 0 20 30 1 0 0 0 22 31 1 0 0 0 23 32 1 0 0 0 24 33 1 0 0 0 24 34 2 0 0 0 25 35 1 0 0 0 26 36 1 0 0 0 26 37 2 0 0 0 27 38 1 0 0 0 27 39 2 0 0 0 28 40 1 0 0 0 28 41 2 0 0 0 30 42 1 0 0 0 31 43 1 0 0 0 31 44 2 0 0 0 32 45 2 0 0 0 32 46 1 0 0 0 35 47 1 0 0 0 35 48 2 0 0 0 40 49 2 0 0 0 41 50 1 0 0 0 42 51 1 0 0 0 42 52 2 0 0 0 43 53 1 0 0 0 49 54 1 0 0 0 51 55 2 0 0 0 51 56 1 0 0 0 53 57 1 0 0 0 55 58 1 0 0 0 56 59 2 0 0 0 57 60 1 6 0 0 58 61 2 0 0 0 60 62 1 0 0 0 9 11 1 1 0 0 9 14 1 0 0 0 12 16 1 0 0 0 50 54 2 0 0 0 55 57 1 0 0 0 59 61 1 0 0 0 M END