B4CMX3 -OEChem-04022105293D 57 59 0 0 0 0 0 0 0999 V2000 2.3634 3.1100 0.1372 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -2.0493 1.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 -3.0061 -0.7863 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2492 0.0422 -0.6870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0634 0.8099 0.6209 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -0.7930 -0.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5371 -2.5524 0.2755 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 1.4505 -0.4763 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 0.6373 1.1547 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8562 -0.5326 -0.6406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4743 -0.2267 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7826 -0.3260 0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7512 0.7454 -0.6367 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5441 -1.5910 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9603 -1.1092 -2.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 0.0941 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7953 0.9087 1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7741 1.8529 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3846 -0.4574 -1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2715 0.2903 1.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -1.6840 0.7228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8895 0.3459 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7336 -2.1762 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 -0.1711 -0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9791 0.5766 1.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 0.4713 0.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0497 -0.2960 -1.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3446 -3.9674 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1937 4.1291 -0.4614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5203 5.4745 -0.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8619 1.1645 0.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3184 1.5255 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7591 0.5276 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6497 -1.2331 1.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9598 -2.5182 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5493 -1.8382 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5653 -0.4050 -2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4183 -2.0574 -2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0041 -1.3083 -2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 0.2964 2.2115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6473 1.9486 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4865 -0.8576 -2.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1016 0.4797 1.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3001 -0.3765 -1.2772 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8349 0.9793 2.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5181 1.0098 2.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5788 0.4187 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 -1.1063 -1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7210 0.2016 -2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 -4.0858 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1639 -4.5906 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4073 -4.2995 0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 4.1371 0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3273 3.9091 -1.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 5.4722 -0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 5.6976 0.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 6.2715 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 29 1 0 0 0 0 2 21 2 0 0 0 0 3 23 2 0 0 0 0 4 26 2 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 23 1 0 0 0 0 6 27 1 0 0 0 0 7 21 1 0 0 0 0 7 23 1 0 0 0 0 7 28 1 0 0 0 0 8 16 1 0 0 0 0 8 18 2 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 17 26 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 19 24 1 0 0 0 0 19 42 1 0 0 0 0 20 25 2 0 0 0 0 20 43 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$