B4NJW1 -OEChem-04012114263D 43 46 0 0 0 0 0 0 0999 V2000 -1.6765 2.5785 0.0225 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3841 2.3988 0.2303 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 0.0428 0.1292 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6505 -2.0825 0.0484 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6988 -1.1945 0.1221 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3001 2.1134 -0.0515 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7492 0.2185 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3365 0.0524 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6447 1.2334 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8325 -0.6837 0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 1.5763 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 -0.0883 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7941 1.3261 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 -0.1675 -1.0422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -1.1135 0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 -0.1753 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4949 -0.1332 1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -0.2923 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6091 -0.3374 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2925 1.1981 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8837 -0.2578 1.4104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8727 -0.1238 -2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5166 -2.8331 -1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 -2.7841 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0939 -0.4715 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -2.0446 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -0.8305 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9392 -0.0711 2.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5165 -0.3533 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 -0.2900 2.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2927 1.6211 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1812 -0.9663 -2.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 0.8146 -2.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 -0.1858 -3.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3510 -2.6173 -1.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5835 -2.5734 -1.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 -3.9137 -1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9439 -2.2485 2.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5815 -2.8777 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1657 -3.7909 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4556 -1.0868 -0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5620 0.5158 0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4244 -0.9565 1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 13 2 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 15 2 0 0 0 0 6 11 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 15 26 1 0 0 0 0 16 20 2 0 0 0 0 16 27 1 0 0 0 0 17 21 2 0 0 0 0 17 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 20 31 1 0 0 0 0 21 30 1 0 0 0 0 22 32 1 0 0 0 0 22 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$