B9VNC2 -OEChem-04022110163D 76 80 0 1 0 0 0 0 0999 V2000 5.9648 -0.9127 1.0200 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3538 2.7148 -1.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0087 4.5026 -2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6228 -3.6636 -1.8223 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2994 -0.3915 0.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6129 -1.2636 2.3904 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3262 2.4441 1.2914 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0469 -3.6188 -0.5360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 3.4270 -0.2779 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 -2.2694 -0.0089 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 3.6741 -2.1932 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4113 -1.1301 0.8082 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 0.5660 2.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6927 1.8215 3.5348 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7295 1.0456 1.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 2.9239 2.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1699 3.1725 0.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7549 4.6104 0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 5.0845 -0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 4.2963 -1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 -4.2202 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 -3.1043 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0221 -2.5504 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7492 -3.7119 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4502 -3.0866 -0.5286 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0083 3.0728 -1.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 2.1152 -0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3568 -2.7593 -0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4485 -3.2590 -1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3538 -3.6887 0.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8074 0.2527 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4763 -1.9875 -0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7522 -2.7824 -1.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 -3.2124 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 2.0752 -1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5959 1.2237 0.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1703 1.1442 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5202 0.2926 0.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4579 -0.8592 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4648 -2.0743 0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4151 0.1338 -0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3616 -0.0479 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4172 0.2445 2.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 -0.2672 2.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 1.9762 3.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 1.7783 4.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 0.4838 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7972 1.0085 1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 3.8855 2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0431 3.0384 2.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 4.7438 1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6623 5.2163 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 5.0315 -1.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 6.1370 -0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2397 -4.7028 -1.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1715 -5.0113 0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5083 -2.3314 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 -2.6312 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9144 -2.0898 0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8224 -1.7799 -1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6250 -3.8814 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1685 -4.0610 -1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9876 -3.2693 -2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -4.0425 1.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2618 -2.2954 -0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 -2.4296 -2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1135 -3.2324 1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5619 2.7587 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5986 1.2304 0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 1.1272 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 -0.3844 1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 -0.7399 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5329 -2.9294 1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5669 -3.8655 -1.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4212 1.0210 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1299 0.6971 0.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 31 1 0 0 0 0 2 17 2 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 25 1 0 0 0 0 4 74 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 62 1 0 0 0 0 9 20 2 0 0 0 0 9 26 1 0 0 0 0 10 28 1 0 0 0 0 10 65 1 0 0 0 0 11 26 2 0 0 0 0 12 40 1 0 0 0 0 12 42 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 25 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 32 1 0 0 0 0 25 61 1 0 0 0 0 26 27 1 0 0 0 0 27 35 2 0 0 0 0 27 36 1 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 33 1 0 0 0 0 29 63 1 0 0 0 0 30 34 2 0 0 0 0 30 64 1 0 0 0 0 31 37 2 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 32 40 2 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 35 37 1 0 0 0 0 35 68 1 0 0 0 0 36 38 2 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 38 71 1 0 0 0 0 39 41 2 0 0 0 0 39 72 1 0 0 0 0 40 73 1 0 0 0 0 41 42 1 0 0 0 0 41 75 1 0 0 0 0 42 76 1 0 0 0 0 M END $$$$