@MOLECULE 2-azido-1-[4-[3-(2-thienyl)-BLAHcyclopenta-2,3,4-trien-5-yl]-1-piperidyl]ethanone 36 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.0343 -0.4990 1.4330 C.3 1 UNL111 -0.3081 2 C -2.3628 -1.2754 1.4741 C.3 1 UNL111 -0.0623 3 N -3.0851 -1.1730 0.1936 N.am 1 UNL111 -0.4752 4 C -2.2958 -1.6096 -0.9625 C.3 1 UNL111 -0.0631 5 C -0.9722 -0.8284 -1.0664 C.3 1 UNL111 -0.3093 6 C -0.1869 -0.9894 0.2478 C.3 1 UNL111 -0.1062 7 C -4.1167 -0.2592 0.1071 C.2 1 UNL111 0.5415 8 O -4.5514 0.2840 1.1044 O.2 1 UNL111 -0.5332 9 C -4.7857 0.0078 -1.2417 C.3 1 UNL111 -0.1689 10 N 2.3304 -0.6468 0.1159 N.2 1 UNL111 -0.4484 11 C 1.0799 -0.2327 0.1645 C.2 1 UNL111 0.2113 12 O 1.0218 1.1562 0.1088 O.2 1 UNL111 -0.0053 13 N 2.3133 1.6075 0.0214 N.2 1 UNL111 -0.2502 14 C 3.1145 0.5344 0.0260 C.1 1 UNL111 0.2534 15 C 4.5409 0.5101 -0.0474 C.ar 1 UNL111 -0.2226 16 C 5.3921 1.5900 -0.0550 C.ar 1 UNL111 -0.1006 17 C 6.7659 1.2095 -0.1423 C.ar 1 UNL111 -0.1885 18 C 6.9458 -0.1468 -0.2003 C.ar 1 UNL111 -0.2676 19 S 5.4369 -0.9831 -0.1448 S.2 1 UNL111 0.3468 20 N -6.2178 0.2443 -1.1225 N.2 1 UNL111 -0.4534 21 N -6.6734 1.0486 -0.2820 N.2 1 UNL111 0.4542 22 N -7.3109 1.7095 0.3831 N.2 1 UNL111 -0.1807 23 H -1.2332 0.5887 1.3512 H 1 UNL111 0.1688 24 H -0.4906 -0.6338 2.3875 H 1 UNL111 0.1609 25 H -2.1852 -2.3541 1.6849 H 1 UNL111 0.1456 26 H -3.0077 -0.8898 2.3024 H 1 UNL111 0.1804 27 H -2.0878 -2.7010 -0.8403 H 1 UNL111 0.1544 28 H -2.8750 -1.5143 -1.9048 H 1 UNL111 0.1422 29 H -0.3780 -1.2003 -1.9228 H 1 UNL111 0.1593 30 H -1.1680 0.2419 -1.2714 H 1 UNL111 0.1619 31 H 0.0597 -2.0787 0.3981 H 1 UNL111 0.1825 32 H -4.2621 0.8557 -1.7458 H 1 UNL111 0.1666 33 H -4.7268 -0.8768 -1.9289 H 1 UNL111 0.1916 34 H 5.0701 2.6225 -0.0009 H 1 UNL111 0.1781 35 H 7.5619 1.9392 -0.1594 H 1 UNL111 0.1677 36 H 7.8853 -0.6673 -0.2708 H 1 UNL111 0.1763 @BOND 1 33 9 1 2 29 5 1 3 28 4 1 4 32 9 1 5 30 5 1 6 9 20 1 7 9 7 1 8 20 21 2 9 5 4 1 10 5 6 1 11 4 27 1 12 4 3 1 13 21 22 2 14 36 18 1 15 18 19 ar 16 18 17 ar 17 35 17 1 18 19 15 ar 19 17 16 ar 20 16 15 ar 21 16 34 1 22 15 14 1 23 13 14 2 24 13 12 1 25 14 10 2 26 7 3 am 27 7 8 2 28 12 11 1 29 10 11 2 30 11 6 1 31 3 2 1 32 6 31 1 33 6 1 1 34 23 1 1 35 1 2 1 36 1 24 1 37 2 25 1 38 2 26 1