@MOLECULE phenmedipham 38 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -6.9753 -0.1658 -0.4104 C.3 1 UNL1111111 -0.4607 2 C -5.5694 -0.5226 -0.0625 C.ar 1 UNL1111111 0.0932 3 C -4.5082 0.1519 -0.6672 C.ar 1 UNL1111111 -0.2784 4 C -3.1944 -0.1901 -0.3211 C.ar 1 UNL1111111 0.2195 5 C -2.9316 -1.2190 0.5889 C.ar 1 UNL1111111 -0.2116 6 C -4.0006 -1.8826 1.1813 C.ar 1 UNL1111111 -0.0902 7 C -5.3125 -1.5350 0.8652 C.ar 1 UNL1111111 -0.2253 8 N -2.1321 0.5338 -0.9296 N.am 1 UNL1111111 -0.5508 9 C -1.0153 0.8472 -0.1824 C.2 1 UNL1111111 0.7124 10 O -0.2077 1.7033 -0.9191 O.3 1 UNL1111111 -0.4140 11 C 1.0589 1.8257 -0.3687 C.ar 1 UNL1111111 0.2899 12 C 1.8569 0.6925 -0.2467 C.ar 1 UNL1111111 -0.2638 13 C 3.1016 0.8429 0.3702 C.ar 1 UNL1111111 0.2562 14 C 3.5274 2.1012 0.8302 C.ar 1 UNL1111111 -0.2679 15 C 2.7143 3.2133 0.6303 C.ar 1 UNL1111111 -0.0634 16 C 1.4626 3.0964 0.0306 C.ar 1 UNL1111111 -0.2469 17 N 3.9148 -0.2849 0.6211 N.am 1 UNL1111111 -0.5673 18 C 3.9824 -1.3636 -0.2486 C.2 1 UNL1111111 0.7183 19 O 3.4071 -1.5107 -1.2981 O.2 1 UNL1111111 -0.5112 20 O 4.8296 -2.2785 0.3203 O.3 1 UNL1111111 -0.4242 21 C 4.9748 -3.4996 -0.3939 C.3 1 UNL1111111 -0.1506 22 O -0.7365 0.4542 0.9213 O.2 1 UNL1111111 -0.4911 23 H -7.3249 -0.7460 -1.2780 H 1 UNL1111111 0.1637 24 H -7.6775 -0.3675 0.4114 H 1 UNL1111111 0.1589 25 H -7.0848 0.8972 -0.6686 H 1 UNL1111111 0.1589 26 H -4.7044 0.9430 -1.3843 H 1 UNL1111111 0.1612 27 H -1.9070 -1.4923 0.8447 H 1 UNL1111111 0.1902 28 H -3.8083 -2.6767 1.9017 H 1 UNL1111111 0.1524 29 H -6.1403 -2.0591 1.3424 H 1 UNL1111111 0.1551 30 H -2.3082 0.9919 -1.8163 H 1 UNL1111111 0.3312 31 H 1.5001 -0.2792 -0.5884 H 1 UNL1111111 0.2033 32 H 4.4869 2.2137 1.3259 H 1 UNL1111111 0.1629 33 H 3.0568 4.1933 0.9606 H 1 UNL1111111 0.1523 34 H 0.8110 3.9534 -0.1021 H 1 UNL1111111 0.1742 35 H 4.5248 -0.2608 1.4318 H 1 UNL1111111 0.3314 36 H 5.5747 -4.0991 0.2976 H 1 UNL1111111 0.1468 37 H 3.9993 -3.9630 -0.5805 H 1 UNL1111111 0.1448 38 H 5.5085 -3.3214 -1.3337 H 1 UNL1111111 0.1405 @BOND 1 30 8 1 2 26 3 1 3 38 21 1 4 19 18 2 5 23 1 1 6 8 4 1 7 8 9 am 8 10 11 1 9 10 9 1 10 25 1 1 11 3 4 ar 12 3 2 ar 13 37 21 1 14 31 12 1 15 1 2 1 16 1 24 1 17 21 36 1 18 21 20 1 19 11 12 ar 20 11 16 ar 21 4 5 ar 22 18 20 1 23 18 17 am 24 12 13 ar 25 9 22 2 26 34 16 1 27 2 7 ar 28 16 15 ar 29 13 17 1 30 13 14 ar 31 5 27 1 32 5 6 ar 33 17 35 1 34 15 14 ar 35 15 33 1 36 14 32 1 37 7 6 ar 38 7 29 1 39 6 28 1