B3MJN7 -OEChem-04042104253D 50 51 0 0 0 0 0 0 0999 V2000 -2.7820 -2.3864 -0.3336 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 1.9030 -0.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 3.8163 -1.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1697 -2.2829 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4434 -3.1177 -1.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9286 0.2756 0.6187 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.5643 -0.1272 2.2907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 3.4782 -0.0421 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 0.7928 1.2882 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 0.1441 1.0847 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0942 2.5774 0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1196 -0.7714 -0.4844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0116 1.7723 -0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8709 -0.0887 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2328 1.7393 0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 3.1137 -0.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6585 0.3083 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 1.5801 0.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0267 -0.5792 -1.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4728 0.6926 -1.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 -1.3518 0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2533 4.7972 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.6178 2.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8765 -3.1049 1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0973 -2.4714 1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 -1.4055 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6377 -3.6447 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7371 -2.5786 -1.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 -3.6982 -0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2988 1.9244 1.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4607 3.1753 1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4990 -0.3088 1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5161 0.4471 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 2.4255 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5821 -1.4036 -1.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3765 0.8302 -2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 5.3239 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8454 5.3836 -0.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 4.6680 -0.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 0.5781 3.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6263 1.4139 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7358 -0.3275 2.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 -4.1258 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8147 -3.1193 0.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 -2.5200 1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2346 -2.4433 2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4131 -0.5437 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 -4.5162 1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5962 -2.6202 -2.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 -4.6112 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 12 1 0 0 0 0 1 24 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 6 10 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 17 2 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 2 6 -1 10 1 M END $$$$