B5BRU4 -OEChem-04012113543D 55 56 0 0 0 0 0 0 0999 V2000 -6.3655 1.7025 -0.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8468 -0.4861 -0.1892 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4565 -1.7750 -0.0725 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7316 -1.6087 0.0395 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3624 0.4833 -0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3931 -0.5276 -1.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6103 -1.7122 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1179 -0.2359 0.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3018 -2.4599 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0973 -1.5727 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0028 1.4325 -1.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0368 1.3139 0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 0.6193 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9206 -2.3649 0.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7089 0.2560 0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5039 1.0535 0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6994 2.4241 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3048 0.5171 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0066 1.1174 0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 0.4844 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 1.0005 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6775 2.3836 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5184 0.2092 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9447 0.5598 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2169 -0.4122 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6255 -2.4020 0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3538 -0.0316 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0484 -0.9048 -2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0099 -1.3784 0.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3568 -2.3906 -0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4441 -3.1470 0.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0939 -3.0787 -0.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3755 2.2691 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9056 1.8657 -2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4615 0.9000 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2498 0.7074 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9851 1.7415 0.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4095 2.1528 0.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2005 1.5783 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2674 -3.2131 1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -2.7767 0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 -1.7965 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5129 -0.6835 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 2.9725 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3168 3.0457 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1914 2.3492 1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2833 -0.4863 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0523 2.1173 0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0544 -0.5194 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 2.4765 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7095 2.6446 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2947 3.1371 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2859 -0.7822 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7652 0.5172 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6701 -3.4743 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 26 2 0 0 0 0 4 25 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 11 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 12 38 1 0 0 0 0 13 15 2 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 M END $$$$