BX3R5M -OEChem-04022103553D 63 67 0 1 0 0 0 0 0999 V2000 3.5534 2.3820 0.5296 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9583 3.7632 1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 2.4124 -1.7222 N 0 0 1 0 0 0 0 0 0 0 0 0 0.7614 -2.7150 0.7908 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6672 -1.0258 -0.1814 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7424 -0.2655 0.0919 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1029 -0.0202 0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3825 -2.7004 -0.5105 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0754 1.8459 1.0994 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3492 1.5912 0.6155 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9001 2.6160 0.0040 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2276 1.2453 -0.8861 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0156 3.3288 -1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 0.4737 1.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1545 0.0905 -1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 3.6289 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7804 -1.1693 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 2.7169 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -0.6845 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -1.4472 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 3.0778 -2.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6746 4.3540 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 -2.3201 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 -3.2599 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9121 -2.6449 -0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 -4.5085 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5599 3.3699 0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4759 -3.8886 -0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.8057 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0373 -0.7981 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1746 -2.1146 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3107 -0.6061 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 -1.9224 -0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 2.4516 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 0.7695 1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5088 1.9150 -0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 0.7493 -1.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5978 3.7582 -1.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5365 4.1670 -0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 0.6204 1.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 0.1162 2.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2027 0.3513 -1.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -0.1459 -2.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 3.1055 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2822 4.3617 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8092 2.3651 -2.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 3.6452 -1.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 3.7844 -3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0839 5.0799 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4727 4.9179 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1473 3.6568 -1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0681 -3.1833 1.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 -1.9410 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9821 -5.2237 1.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4965 3.0149 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7021 3.5015 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2905 4.3196 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4610 -4.1396 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2414 -5.7670 0.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 0.7094 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3427 -2.7702 -0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1674 0.0183 0.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4189 -2.3925 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 27 1 0 0 0 0 2 18 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 19 2 0 0 0 0 6 30 1 0 0 0 0 6 60 1 0 0 0 0 7 30 2 0 0 0 0 7 32 1 0 0 0 0 8 31 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 19 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 22 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 2 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 30 31 1 0 0 0 0 31 61 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 M END $$$$