B9XHI4 -OEChem-04042102553D 27 29 0 0 0 0 0 0 0999 V2000 1.5829 -1.9994 -0.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 2.2236 0.1625 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7084 -2.0558 0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4317 0.0239 -0.0303 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 0.2958 -0.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4474 -0.9214 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5633 1.0145 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3191 -1.3893 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 1.4843 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9636 0.5573 0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8251 -1.0200 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 1.4110 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5571 0.1679 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 0.2592 1.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6239 0.4275 -1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9455 -0.1720 1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9502 -0.0036 -1.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6111 -0.3034 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0245 2.4549 -0.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3248 -1.9819 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4879 2.3258 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6431 0.1339 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1092 0.3582 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 0.6585 -2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 -0.4056 2.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4684 -0.1062 -2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6437 -0.6392 -0.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 7 2 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 11 2 0 0 0 0 7 10 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 2 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$