@MOLECULE 14-hydroxyterezine d 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5254 1.8707 0.5810 O.3 1 UNL1111111111 -0.2877 2 O 3.0130 -2.2840 1.4393 O.2 1 UNL1111111111 -0.5037 3 O 4.0333 2.6246 0.2043 O.2 1 UNL1111111111 -0.4745 4 N 2.4531 1.0008 -0.0232 N.am 1 UNL1111111111 -0.2962 5 N 4.5212 -0.8088 0.6999 N.am 1 UNL1111111111 -0.6098 6 N -1.8666 0.5563 -1.4371 N.ar 1 UNL1111111111 -0.3645 7 C 2.0613 -0.3591 0.3822 C.3 1 UNL1111111111 -0.0116 8 C 1.4080 -1.0646 -0.8350 C.3 1 UNL1111111111 -0.2403 9 C -0.0028 -0.6503 -0.9565 C.ar 1 UNL1111111111 -0.1284 10 C -1.1383 -1.3769 -0.4608 C.ar 1 UNL1111111111 -0.0607 11 C 4.8752 0.3863 -0.0596 C.3 1 UNL1111111111 0.0325 12 C 3.2180 -1.2304 0.8741 C.2 1 UNL1111111111 0.5429 13 C -2.2946 -0.5918 -0.7684 C.ar 1 UNL1111111111 0.0696 14 C 3.7826 1.4461 0.1175 C.2 1 UNL1111111111 0.5009 15 C -0.4772 0.5197 -1.5331 C.ar 1 UNL1111111111 -0.0151 16 C -3.5898 -0.9996 -0.4009 C.ar 1 UNL1111111111 -0.0266 17 C -1.2923 -2.5930 0.2146 C.ar 1 UNL1111111111 -0.1290 18 C 5.0585 0.0981 -1.5522 C.3 1 UNL1111111111 -0.4722 19 C -4.7991 -0.1758 -0.7206 C.3 1 UNL1111111111 -0.2666 20 C -3.6989 -2.2098 0.2611 C.ar 1 UNL1111111111 -0.1759 21 C -2.5658 -2.9959 0.5642 C.ar 1 UNL1111111111 -0.1728 22 C -4.6265 1.2895 -0.4678 C.2 1 UNL1111111111 -0.2786 23 C -4.1734 1.8249 0.6754 C.2 1 UNL1111111111 0.0922 24 C -4.0384 3.3052 0.8326 C.3 1 UNL1111111111 -0.4640 25 C -3.7483 1.0242 1.8572 C.3 1 UNL1111111111 -0.4648 26 H 1.2987 -0.3039 1.2200 H 1 UNL1111111111 0.2071 27 H 1.4765 -2.1689 -0.7017 H 1 UNL1111111111 0.1715 28 H 1.9723 -0.8349 -1.7624 H 1 UNL1111111111 0.1559 29 H 5.8331 0.8052 0.3659 H 1 UNL1111111111 0.1743 30 H 5.2767 -1.4150 0.9937 H 1 UNL1111111111 0.3279 31 H 0.0737 1.3178 -1.9951 H 1 UNL1111111111 0.1685 32 H -2.4592 1.3118 -1.6980 H 1 UNL1111111111 0.3185 33 H -0.4196 -3.1950 0.4581 H 1 UNL1111111111 0.1605 34 H 4.1435 -0.3012 -2.0100 H 1 UNL1111111111 0.1675 35 H 5.8548 -0.6364 -1.7231 H 1 UNL1111111111 0.1608 36 H 5.3281 1.0108 -2.1009 H 1 UNL1111111111 0.1676 37 H -5.0748 -0.3531 -1.7857 H 1 UNL1111111111 0.1543 38 H -5.6790 -0.5364 -0.1379 H 1 UNL1111111111 0.1605 39 H -4.6778 -2.5754 0.5652 H 1 UNL1111111111 0.1502 40 H -2.7137 -3.9374 1.0892 H 1 UNL1111111111 0.1497 41 H 1.6915 2.7620 0.1412 H 1 UNL1111111111 0.3047 42 H -4.9395 1.9230 -1.2944 H 1 UNL1111111111 0.1452 43 H -4.7161 3.6797 1.6141 H 1 UNL1111111111 0.1604 44 H -3.0163 3.5800 1.1320 H 1 UNL1111111111 0.1606 45 H -4.2710 3.8592 -0.0849 H 1 UNL1111111111 0.1487 46 H -2.7143 0.6604 1.7286 H 1 UNL1111111111 0.1737 47 H -3.7791 1.5943 2.7932 H 1 UNL1111111111 0.1530 48 H -4.3723 0.1287 1.9964 H 1 UNL1111111111 0.1639 @BOND 1 1 4 1 2 1 41 1 3 2 12 2 4 3 14 2 5 4 7 1 6 4 14 am 7 5 11 1 8 5 12 am 9 5 30 1 10 6 13 ar 11 6 15 ar 12 6 32 1 13 7 8 1 14 7 12 1 15 7 26 1 16 8 9 1 17 8 27 1 18 8 28 1 19 9 10 ar 20 9 15 ar 21 10 13 ar 22 10 17 ar 23 11 14 1 24 11 18 1 25 11 29 1 26 13 16 ar 27 15 31 1 28 16 19 1 29 16 20 ar 30 17 21 ar 31 17 33 1 32 18 34 1 33 18 35 1 34 18 36 1 35 19 22 1 36 19 37 1 37 19 38 1 38 20 21 ar 39 20 39 1 40 21 40 1 41 22 23 2 42 22 42 1 43 23 24 1 44 23 25 1 45 24 43 1 46 24 44 1 47 24 45 1 48 25 46 1 49 25 47 1 50 25 48 1