BT2NL3 -OEChem-04022112003D 58 61 0 1 0 0 0 0 0999 V2000 6.9474 -2.2231 1.1320 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 0.9380 -0.2837 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7729 -0.4089 -1.1466 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8316 0.3409 1.3766 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4685 1.4135 -1.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3623 0.0676 -0.7847 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.5705 0.0148 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4008 0.0423 -0.0408 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0017 1.5894 0.6064 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1094 -0.6973 1.4187 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7021 2.2553 0.5366 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4982 -1.3694 -0.9536 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1954 -0.4750 -2.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 -2.3260 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3409 0.3741 -1.4182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7636 -1.6200 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1713 -0.4147 -0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4691 -0.1563 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9624 0.6155 1.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9038 -0.8322 0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4188 2.7842 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3832 1.3477 0.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3150 2.4040 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4719 3.7073 -0.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8830 3.5152 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 3.0043 -0.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1803 0.1141 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8726 -1.1031 0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1272 -2.2161 0.1668 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2632 -1.1237 0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7723 -3.3497 -0.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9085 -2.2572 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1630 -3.3701 -0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7531 -1.9844 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4699 0.1877 -2.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 -1.1238 -2.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7201 -3.1556 -0.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0373 -2.7542 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9219 1.2358 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9613 0.7648 -2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2823 -0.2681 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 1.0982 1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5049 -0.1130 1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 4.6238 -0.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7055 0.1073 1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4609 -1.3958 2.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 4.2934 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2388 3.1310 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4181 -0.1629 1.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8836 0.8121 1.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 2.9908 0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 3.9818 -0.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3095 2.2571 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0451 -2.2281 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8565 -0.2632 0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1923 -4.2182 -0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9914 -2.2732 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6654 -4.2530 -0.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 11 1 0 0 0 0 2 27 1 0 0 0 0 3 18 2 0 0 0 0 4 22 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 17 1 0 0 0 0 8 20 2 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 21 24 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 25 2 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 47 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 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 54 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$