marinedrugs-11-01271-s002.mol corina 04151405103D 1 1.00000 0.00000 CORINA 3.49 0023 12.04.2013 54 58 0 0 0 0 0 0 0 0999 V2000 -0.0187 1.5266 0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3905 -0.4953 -0.0992 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7355 -1.0232 -1.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9394 -1.0216 -2.2305 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0819 -1.5950 -1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -2.0745 -2.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9568 -3.4434 -3.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5846 -4.2720 -2.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8082 -3.8636 -4.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 -5.1288 -4.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9984 -5.9822 -3.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 -5.5379 -2.3623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6793 -7.4922 -4.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6412 -7.6461 -4.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 -8.2627 -5.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1069 -8.7301 -6.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 -8.5933 -6.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 -7.9886 -5.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6489 -7.2646 -3.9050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 -5.4528 -5.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 -8.4050 -6.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1128 -9.2016 -7.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8073 -6.1844 -1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0138 -0.4463 0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8876 -1.6847 -0.4882 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -2.2337 -0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 2.0440 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 1.1970 0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 1.6757 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9939 3.0113 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 3.8526 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 3.3671 -0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2676 3.4877 -0.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 4.8877 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -7.9107 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5431 -6.4669 -4.5128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5992 -6.0922 -3.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0945 -6.9301 -2.8247 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0117 -4.7977 -3.4929 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0546 -4.5002 -2.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7112 -3.1620 -2.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1654 -2.0944 -1.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6109 -2.4358 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9817 -5.5652 -5.2496 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2183 -0.7719 -2.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7278 0.2208 -1.4809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1909 -0.1141 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -1.4460 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7790 0.8542 0.6055 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6779 -1.7075 1.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7635 1.2531 -1.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6435 -4.1124 -4.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9693 -5.9318 -6.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 9 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 14 2 0 15 20 1 0 12 20 1 0 11 21 1 0 16 22 1 0 17 23 1 0 13 24 1 0 3 25 1 0 6 26 2 0 26 27 1 0 1 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 28 2 0 31 34 1 0 32 35 1 0 19 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 37 45 2 0 43 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 44 2 0 48 50 1 0 50 30 1 0 49 51 1 0 47 52 1 0 40 53 1 0 45 54 1 0 M END $$$$