@MOLECULE columbamine 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.2087 1.5155 0.0737 O.3 1 UNL1111 -0.3364 2 O -6.1403 -0.3225 -0.1899 O.3 1 UNL1111 -0.3387 3 O -4.7085 -2.4262 0.6964 O.3 1 UNL1111 -0.4463 4 O 5.8109 -0.8717 -0.0617 O.3 1 UNL1111 -0.3397 5 N 0.0707 1.1775 0.3093 N.ar 1 UNL1111 -0.2837 6 C -0.7564 2.3907 0.3302 C.3 1 UNL1111 -0.0687 7 C -1.9292 2.2734 -0.6609 C.3 1 UNL1111 -0.3053 8 C -0.5388 -0.0681 0.1066 C.ar 1 UNL1111 0.1719 9 C -2.7101 1.0401 -0.3402 C.ar 1 UNL1111 0.0119 10 C -2.0076 -0.0983 0.0739 C.ar 1 UNL1111 -0.0564 11 C 1.4451 1.3020 0.2287 C.ar 1 UNL1111 -0.1351 12 C 0.2218 -1.1898 -0.0607 C.ar 1 UNL1111 -0.2290 13 C 2.2502 0.1648 0.0641 C.ar 1 UNL1111 -0.0041 14 C 1.6552 -1.1217 -0.0705 C.ar 1 UNL1111 -0.0410 15 C -4.1028 1.0263 -0.4433 C.ar 1 UNL1111 -0.2541 16 C -2.7044 -1.2569 0.4344 C.ar 1 UNL1111 -0.1778 17 C 3.6666 0.2566 0.0336 C.ar 1 UNL1111 0.0686 18 C -4.7927 -0.1318 -0.1135 C.ar 1 UNL1111 0.1243 19 C -4.0899 -1.2711 0.3379 C.ar 1 UNL1111 0.1864 20 C 2.4591 -2.2626 -0.2088 C.ar 1 UNL1111 -0.1358 21 C 4.4414 -0.8882 -0.1237 C.ar 1 UNL1111 0.1529 22 C 3.8428 -2.1558 -0.2377 C.ar 1 UNL1111 -0.2166 23 C 4.8833 1.7794 1.3039 C.3 1 UNL1111 -0.2011 24 C -6.9360 0.8265 -0.4442 C.3 1 UNL1111 -0.1864 25 C 6.4179 -0.1413 -1.1255 C.3 1 UNL1111 -0.1979 26 H -0.1369 3.2828 0.0922 H 1 UNL1111 0.1468 27 H -1.1460 2.5281 1.3685 H 1 UNL1111 0.1524 28 H -1.5493 2.2175 -1.7048 H 1 UNL1111 0.1723 29 H -2.5529 3.1859 -0.6161 H 1 UNL1111 0.1549 30 H 1.8781 2.2925 0.3149 H 1 UNL1111 0.1739 31 H -0.2422 -2.1626 -0.2069 H 1 UNL1111 0.1711 32 H -4.6283 1.9140 -0.7809 H 1 UNL1111 0.1650 33 H -2.1838 -2.1450 0.7965 H 1 UNL1111 0.1890 34 H 1.9887 -3.2404 -0.2966 H 1 UNL1111 0.1568 35 H 4.4766 -3.0312 -0.3444 H 1 UNL1111 0.1672 36 H -5.6931 -2.3422 0.6175 H 1 UNL1111 0.3351 37 H 4.1778 1.7340 2.1388 H 1 UNL1111 0.1303 38 H 5.2579 2.7984 1.1607 H 1 UNL1111 0.1402 39 H 5.7078 1.0738 1.4551 H 1 UNL1111 0.1438 40 H -6.7276 1.2283 -1.4411 H 1 UNL1111 0.1355 41 H -6.7915 1.5834 0.3329 H 1 UNL1111 0.1352 42 H -7.9544 0.4158 -0.4008 H 1 UNL1111 0.1531 43 H 6.1880 -0.6145 -2.0845 H 1 UNL1111 0.1291 44 H 7.4855 -0.2252 -0.8942 H 1 UNL1111 0.1401 45 H 6.0973 0.9061 -1.1239 H 1 UNL1111 0.1465 @BOND 1 1 17 1 2 1 23 1 3 2 18 1 4 2 24 1 5 3 19 1 6 3 36 1 7 4 21 1 8 4 25 1 9 5 6 1 10 5 8 ar 11 5 11 ar 12 6 7 1 13 6 26 1 14 6 27 1 15 7 9 1 16 7 28 1 17 7 29 1 18 8 10 1 19 8 12 ar 20 9 10 ar 21 9 15 ar 22 10 16 ar 23 11 13 ar 24 11 30 1 25 12 14 ar 26 12 31 1 27 13 14 ar 28 13 17 ar 29 14 20 ar 30 15 18 ar 31 15 32 1 32 16 19 ar 33 16 33 1 34 17 21 ar 35 18 19 ar 36 20 22 ar 37 20 34 1 38 21 22 ar 39 22 35 1 40 23 37 1 41 23 38 1 42 23 39 1 43 24 40 1 44 24 41 1 45 24 42 1 46 25 43 1 47 25 44 1 48 25 45 1