B5JS6N -OEChem-04022102513D 42 42 0 0 0 0 0 0 0999 V2000 1.7581 2.2894 -1.0154 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6761 1.9917 -0.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 -0.0067 1.0108 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 2.7471 -1.9604 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 -0.4046 1.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2669 1.0874 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5778 -1.1822 -0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 1.3695 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -2.6582 0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 1.4401 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6709 0.9785 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1052 -1.2438 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4786 -0.4129 1.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0504 2.1666 -0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3412 -2.5429 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.1869 0.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9566 -3.4280 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 -3.3778 -1.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8288 -0.8511 1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5429 -0.5040 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 1.5330 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3344 1.5824 1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 -1.1067 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.7415 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 -2.7514 0.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 -3.1088 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 0.3976 1.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1448 -0.6517 -0.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 -1.4784 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4412 -0.9869 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0856 0.4811 1.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2742 -3.1302 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 -2.3240 -0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3839 -0.6479 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7272 -3.0220 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 -4.4805 -1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 -3.3814 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0779 -2.8300 -2.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4608 -4.3012 -1.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0387 -3.6502 -0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7166 2.6905 -1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 3.2662 -2.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 2 16 2 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 2 0 0 0 0 9 17 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 M END $$$$