BIG3C4 -OEChem-04012113373D 53 56 0 1 0 0 0 0 0999 V2000 -5.4340 -0.4627 -0.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3225 -1.4289 -0.1376 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1096 -3.1441 -0.2162 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8823 -2.0571 0.5557 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3192 -3.5343 -0.2721 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8026 2.9492 0.9693 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5607 1.0902 2.2301 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7531 5.2366 -1.0527 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4631 -2.7979 -0.6118 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5274 -3.6351 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 -1.3714 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 -2.8093 -0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8703 -2.3152 -0.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2088 -0.3631 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 -2.6625 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6409 0.9939 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 -3.5626 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 -1.0231 1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -2.6170 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3251 1.7024 0.9734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4082 1.5972 -1.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 0.3479 0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8715 2.8792 -1.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9381 0.6277 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6674 1.3143 0.8601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5888 3.5066 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 1.8985 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9508 2.5851 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 2.8771 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5175 4.1784 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -2.9398 -1.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -4.6494 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3106 -3.7083 1.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5531 -0.6330 -0.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 -1.0713 0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5356 -2.9523 0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2504 -3.0226 -1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -4.1278 -0.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7931 -2.4792 -1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.2473 -0.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8185 -1.1376 2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2829 -1.1887 1.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0187 -4.2358 -1.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 -2.3304 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6391 1.0807 -2.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6798 3.3715 -2.3929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7471 -0.0924 0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 1.0978 1.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4864 0.0828 2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3224 1.6355 3.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1678 4.5065 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 2.1133 -0.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 3.3369 0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 3 38 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 17 1 0 0 0 0 5 19 2 0 0 0 0 6 20 1 0 0 0 0 6 26 2 0 0 0 0 7 20 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 8 30 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 15 17 2 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 44 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 26 1 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 24 47 1 0 0 0 0 25 28 2 0 0 0 0 25 48 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 M END $$$$