@MOLECULE car-302,196 45 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.4049 0.4335 0.0865 O.3 1 UNL1111111111 -0.4338 2 O 2.5732 -0.0232 -1.7167 O.3 1 UNL1111111111 -0.5129 3 O 0.0956 1.0909 -2.0108 O.2 1 UNL1111111111 -0.5116 4 N -4.4266 -0.3923 0.4519 N.3 1 UNL1111111111 -0.4033 5 C 1.9557 -0.9009 0.3915 C.3 1 UNL1111111111 -0.0988 6 C 1.3435 -2.1581 -0.2527 C.3 1 UNL1111111111 -0.2690 7 C 3.4069 -1.2988 0.7168 C.3 1 UNL1111111111 -0.2674 8 C 2.0339 -3.3426 0.4455 C.3 1 UNL1111111111 -0.2580 9 C 3.3557 -2.8043 1.0342 C.3 1 UNL1111111111 -0.2612 10 C 1.8859 0.3286 -0.5348 C.3 1 UNL1111111111 0.2589 11 C -1.8066 0.6794 -0.1315 C.3 1 UNL1111111111 0.1554 12 C -2.3826 0.7069 1.2865 C.3 1 UNL1111111111 -0.3127 13 C -2.3880 -0.4856 -0.9334 C.3 1 UNL1111111111 -0.3295 14 C 0.4334 0.6632 -0.9381 C.2 1 UNL1111111111 0.5580 15 C -3.9165 0.7797 1.2074 C.3 1 UNL1111111111 -0.1141 16 C -3.9218 -0.3841 -0.9448 C.3 1 UNL1111111111 -0.1116 17 C 2.4521 1.5086 0.0660 C.1 1 UNL1111111111 -0.2180 18 C -5.9049 -0.4103 0.4659 C.3 1 UNL1111111111 -0.2836 19 C 2.9468 2.4925 0.5710 C.1 1 UNL1111111111 0.0180 20 C 3.5167 3.6642 1.1533 C.3 1 UNL1111111111 -0.4107 21 H 1.4096 -0.6566 1.3342 H 1 UNL1111111111 0.1551 22 H 1.5501 -2.1756 -1.3392 H 1 UNL1111111111 0.1568 23 H 0.2499 -2.1863 -0.1341 H 1 UNL1111111111 0.1378 24 H 3.8156 -0.7109 1.5505 H 1 UNL1111111111 0.1300 25 H 4.0623 -1.1067 -0.1535 H 1 UNL1111111111 0.1581 26 H 2.2178 -4.1660 -0.2616 H 1 UNL1111111111 0.1302 27 H 1.3935 -3.7543 1.2422 H 1 UNL1111111111 0.1293 28 H 3.3969 -2.9779 2.1210 H 1 UNL1111111111 0.1269 29 H 4.2247 -3.3257 0.6040 H 1 UNL1111111111 0.1301 30 H -1.9185 1.6508 -0.6575 H 1 UNL1111111111 0.1363 31 H -1.9794 1.5583 1.8612 H 1 UNL1111111111 0.1475 32 H -2.0752 -0.2091 1.8329 H 1 UNL1111111111 0.1720 33 H -2.0782 -1.4478 -0.4777 H 1 UNL1111111111 0.1669 34 H -1.9930 -0.4844 -1.9669 H 1 UNL1111111111 0.1608 35 H -4.3407 0.7357 2.2347 H 1 UNL1111111111 0.1391 36 H -4.2336 1.7488 0.7669 H 1 UNL1111111111 0.1136 37 H -4.2428 0.5132 -1.5151 H 1 UNL1111111111 0.1149 38 H -4.3476 -1.2697 -1.4661 H 1 UNL1111111111 0.1405 39 H 2.4375 0.6647 -2.4120 H 1 UNL1111111111 0.3304 40 H -6.2538 -0.4758 1.5099 H 1 UNL1111111111 0.1456 41 H -6.2568 -1.3216 -0.0463 H 1 UNL1111111111 0.1472 42 H -6.3791 0.4620 -0.0073 H 1 UNL1111111111 0.1190 43 H 3.4569 3.6512 2.2574 H 1 UNL1111111111 0.1718 44 H 3.0038 4.5850 0.8143 H 1 UNL1111111111 0.1728 45 H 4.5856 3.7777 0.8905 H 1 UNL1111111111 0.1734 @BOND 1 1 11 1 2 1 14 1 3 2 10 1 4 2 39 1 5 3 14 2 6 4 15 1 7 4 16 1 8 4 18 1 9 5 6 1 10 5 7 1 11 5 10 1 12 5 21 1 13 6 8 1 14 6 22 1 15 6 23 1 16 7 9 1 17 7 24 1 18 7 25 1 19 8 9 1 20 8 26 1 21 8 27 1 22 9 28 1 23 9 29 1 24 10 14 1 25 10 17 1 26 11 12 1 27 11 13 1 28 11 30 1 29 12 15 1 30 12 31 1 31 12 32 1 32 13 16 1 33 13 33 1 34 13 34 1 35 15 35 1 36 15 36 1 37 16 37 1 38 16 38 1 39 17 19 3 40 18 40 1 41 18 41 1 42 18 42 1 43 19 20 1 44 20 43 1 45 20 44 1 46 20 45 1