@MOLECULE 11-hydroxy-13-oxa-20-aza-4-azoniatetracyclo[12.2.2.2~3,6~.1~8,12~]henicosa-1(16),8(19),9,11,14,17-hexaene 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0826 1.7393 -0.7653 O.3 1 UNL111111111 -0.3131 2 O -4.2375 0.7805 0.7612 O.3 1 UNL111111111 -0.4494 3 N 1.8729 -1.2565 -1.2792 N.3 1 UNL111111111 -0.5376 4 N 2.5115 -1.0266 1.5468 N.3 1 UNL111111111 -0.5538 5 C 1.2757 -2.1648 -0.2746 C.3 1 UNL111111111 0.0527 6 C 3.3577 -0.2937 0.5874 C.3 1 UNL111111111 0.0250 7 C 1.1647 -1.4380 1.0873 C.3 1 UNL111111111 -0.1689 8 C 3.2264 -0.8549 -0.8576 C.3 1 UNL111111111 -0.1274 9 C -0.0859 -2.7089 -0.7854 C.3 1 UNL111111111 -0.3113 10 C 3.2441 1.2651 0.6375 C.3 1 UNL111111111 -0.3504 11 C -1.2578 -1.8306 -0.4831 C.ar 1 UNL111111111 -0.0109 12 C 1.8797 1.7567 0.2953 C.ar 1 UNL111111111 -0.0010 13 C -1.2882 -0.5374 -0.9994 C.ar 1 UNL111111111 -0.2013 14 C -2.2960 -2.2549 0.3559 C.ar 1 UNL111111111 -0.1422 15 C 0.9138 1.8673 1.3031 C.ar 1 UNL111111111 -0.1533 16 C 1.5353 2.0321 -1.0321 C.ar 1 UNL111111111 -0.1580 17 C -2.2294 0.3712 -0.5249 C.ar 1 UNL111111111 0.0603 18 C -0.7601 2.0225 -0.3916 C.ar 1 UNL111111111 0.1826 19 C -0.4276 1.9922 0.9636 C.ar 1 UNL111111111 -0.2043 20 C 0.1970 2.1670 -1.3929 C.ar 1 UNL111111111 -0.1992 21 C -3.3225 -1.3880 0.7202 C.ar 1 UNL111111111 -0.1996 22 C -3.2700 -0.0531 0.3071 C.ar 1 UNL111111111 0.2144 23 H 1.9740 -3.0380 -0.1603 H 1 UNL111111111 0.1540 24 H 4.4118 -0.5262 0.9270 H 1 UNL111111111 0.1427 25 H 0.4550 -0.5877 1.0106 H 1 UNL111111111 0.1334 26 H 0.7593 -2.1320 1.8558 H 1 UNL111111111 0.1494 27 H 3.6130 -0.1140 -1.5882 H 1 UNL111111111 0.1396 28 H 3.8782 -1.7559 -0.9449 H 1 UNL111111111 0.1504 29 H 1.2819 -0.4340 -1.4171 H 1 UNL111111111 0.2573 30 H 2.4311 -0.5025 2.4182 H 1 UNL111111111 0.2597 31 H -0.2344 -3.7219 -0.3604 H 1 UNL111111111 0.1528 32 H -0.0019 -2.8648 -1.8861 H 1 UNL111111111 0.1782 33 H 4.0065 1.6937 -0.0438 H 1 UNL111111111 0.1574 34 H 3.5451 1.6087 1.6482 H 1 UNL111111111 0.1544 35 H -0.5509 -0.2181 -1.7356 H 1 UNL111111111 0.1732 36 H -2.2990 -3.2750 0.7373 H 1 UNL111111111 0.1572 37 H 1.2055 1.8008 2.3495 H 1 UNL111111111 0.1575 38 H 2.3093 2.0870 -1.7961 H 1 UNL111111111 0.1605 39 H -1.2067 1.9976 1.7230 H 1 UNL111111111 0.1769 40 H -0.1034 2.3155 -2.4281 H 1 UNL111111111 0.1793 41 H -4.1439 -1.7187 1.3523 H 1 UNL111111111 0.1738 42 H -4.0645 1.7126 0.4572 H 1 UNL111111111 0.3390 @BOND 1 1 17 1 2 1 18 1 3 2 22 1 4 2 42 1 5 3 5 1 6 3 8 1 7 3 29 1 8 4 6 1 9 4 7 1 10 4 30 1 11 5 7 1 12 5 9 1 13 5 23 1 14 6 8 1 15 6 10 1 16 6 24 1 17 7 25 1 18 7 26 1 19 8 27 1 20 8 28 1 21 9 11 1 22 9 31 1 23 9 32 1 24 10 12 1 25 10 33 1 26 10 34 1 27 11 13 ar 28 11 14 ar 29 12 15 ar 30 12 16 ar 31 13 17 ar 32 13 35 1 33 14 21 ar 34 14 36 1 35 15 19 ar 36 15 37 1 37 16 20 ar 38 16 38 1 39 17 22 ar 40 18 19 ar 41 18 20 ar 42 19 39 1 43 20 40 1 44 21 22 ar 45 21 41 1