@MOLECULE alstonerine 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1245 -0.2767 1.1148 O.2 1 UNL1111111111 -0.3262 2 O -3.1811 3.4939 -0.1462 O.2 1 UNL1111111111 -0.4982 3 N -0.5931 -2.4495 -0.7380 N.3 1 UNL1111111111 -0.4263 4 N 2.0307 0.0736 -1.3956 N.ar 1 UNL1111111111 -0.2775 5 C -0.8276 -2.1621 0.6921 C.3 1 UNL1111111111 0.0604 6 C -1.7713 -0.9640 0.9933 C.3 1 UNL1111111111 -0.2151 7 C -0.2041 -1.2213 -1.4729 C.3 1 UNL1111111111 0.0625 8 C -1.4496 0.2768 0.1321 C.3 1 UNL1111111111 -0.0638 9 C -1.2620 -0.0961 -1.3501 C.3 1 UNL1111111111 -0.3283 10 C 0.5728 -1.9147 1.3405 C.3 1 UNL1111111111 -0.2568 11 C 1.0644 -0.7528 -0.8308 C.ar 1 UNL1111111111 0.0610 12 C 1.3996 -1.0355 0.4889 C.ar 1 UNL1111111111 -0.1129 13 C -3.2357 -1.3536 0.8013 C.3 1 UNL1111111111 -0.0582 14 C -2.5249 1.2993 0.2902 C.2 1 UNL1111111111 -0.3699 15 C -1.6739 -3.1897 -1.4073 C.3 1 UNL1111111111 -0.2672 16 C 2.6242 -0.3558 0.7745 C.ar 1 UNL1111111111 -0.0800 17 C 2.9971 0.3411 -0.4265 C.ar 1 UNL1111111111 0.0974 18 C -3.7452 0.9569 0.7524 C.2 1 UNL1111111111 0.2012 19 C -2.2641 2.7091 -0.0263 C.2 1 UNL1111111111 0.5239 20 C 2.0151 0.6260 -2.7340 C.3 1 UNL1111111111 -0.2312 21 C 3.4400 -0.2506 1.9056 C.ar 1 UNL1111111111 -0.1039 22 C 4.1568 1.1262 -0.4913 C.ar 1 UNL1111111111 -0.2113 23 C 4.5815 0.5251 1.8335 C.ar 1 UNL1111111111 -0.1968 24 C -0.8433 3.1735 -0.1728 C.3 1 UNL1111111111 -0.5366 25 C 4.9346 1.2055 0.6475 C.ar 1 UNL1111111111 -0.1227 26 H -1.2627 -3.0823 1.1599 H 1 UNL1111111111 0.1336 27 H -1.6276 -0.6758 2.0656 H 1 UNL1111111111 0.1612 28 H -0.0453 -1.4930 -2.5467 H 1 UNL1111111111 0.1452 29 H -0.4794 0.6994 0.5152 H 1 UNL1111111111 0.1672 30 H -0.9464 0.7888 -1.9289 H 1 UNL1111111111 0.1463 31 H -2.2193 -0.4184 -1.7936 H 1 UNL1111111111 0.1493 32 H 1.0855 -2.8960 1.4573 H 1 UNL1111111111 0.1635 33 H 0.4576 -1.5001 2.3593 H 1 UNL1111111111 0.1485 34 H -3.4670 -1.6543 -0.2353 H 1 UNL1111111111 0.1351 35 H -3.5690 -2.1374 1.5052 H 1 UNL1111111111 0.1423 36 H -2.5760 -2.6022 -1.6341 H 1 UNL1111111111 0.1195 37 H -1.9627 -4.0585 -0.7930 H 1 UNL1111111111 0.1461 38 H -1.2769 -3.5892 -2.3589 H 1 UNL1111111111 0.1502 39 H -4.5874 1.6307 0.9339 H 1 UNL1111111111 0.1819 40 H 1.3430 0.0497 -3.3945 H 1 UNL1111111111 0.1556 41 H 1.6750 1.6799 -2.7225 H 1 UNL1111111111 0.1532 42 H 3.0287 0.5948 -3.1785 H 1 UNL1111111111 0.1584 43 H 3.1684 -0.7762 2.8174 H 1 UNL1111111111 0.1518 44 H 4.4275 1.6479 -1.4012 H 1 UNL1111111111 0.1517 45 H 5.2299 0.6212 2.7009 H 1 UNL1111111111 0.1483 46 H -0.2600 2.9715 0.7368 H 1 UNL1111111111 0.1766 47 H -0.8017 4.2576 -0.3572 H 1 UNL1111111111 0.1788 48 H -0.3351 2.6762 -1.0073 H 1 UNL1111111111 0.1669 49 H 5.8439 1.8040 0.6410 H 1 UNL1111111111 0.1455 @BOND 1 1 13 1 2 1 18 1 3 2 19 2 4 3 5 1 5 3 7 1 6 3 15 1 7 4 11 ar 8 4 17 ar 9 4 20 1 10 5 6 1 11 5 10 1 12 5 26 1 13 6 8 1 14 6 13 1 15 6 27 1 16 7 9 1 17 7 11 1 18 7 28 1 19 8 9 1 20 8 14 1 21 8 29 1 22 9 30 1 23 9 31 1 24 10 12 1 25 10 32 1 26 10 33 1 27 11 12 ar 28 12 16 ar 29 13 34 1 30 13 35 1 31 14 18 2 32 14 19 1 33 15 36 1 34 15 37 1 35 15 38 1 36 16 17 ar 37 16 21 ar 38 17 22 ar 39 18 39 1 40 19 24 1 41 20 40 1 42 20 41 1 43 20 42 1 44 21 23 ar 45 21 43 1 46 22 25 ar 47 22 44 1 48 23 25 ar 49 23 45 1 50 24 46 1 51 24 47 1 52 24 48 1 53 25 49 1