@MOLECULE 3'-amino-3'-deoxythymidine 32 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.6460 -0.4039 1.1035 O.3 1 UNL1 -0.4101 2 O -1.3433 -2.8940 -0.1194 O.3 1 UNL1 -0.5328 3 O 0.7124 2.7725 0.0937 O.2 1 UNL1 -0.5363 4 O 4.2513 0.0295 -0.6102 O.2 1 UNL1 -0.4757 5 N 0.3915 0.5366 0.4284 N.ar 1 UNL1 -0.5137 6 N -4.2809 0.9044 -0.3011 N.3 1 UNL1 -0.6538 7 N 2.5074 1.3981 -0.2592 N.ar 1 UNL1 -0.6238 8 C -2.9261 0.5067 -0.6988 C.3 1 UNL1 0.0309 9 C -1.8078 1.5053 -0.3102 C.3 1 UNL1 -0.3958 10 C -2.5422 -0.7877 0.0652 C.3 1 UNL1 0.0416 11 C -1.0189 0.8190 0.8180 C.3 1 UNL1 0.3306 12 C -1.8725 -1.8132 -0.8542 C.3 1 UNL1 -0.0530 13 C 0.9228 -0.7425 0.4938 C.ar 1 UNL1 0.1288 14 C 1.1846 1.6524 0.0899 C.ar 1 UNL1 0.7005 15 C 2.2173 -0.9813 0.1615 C.ar 1 UNL1 -0.2519 16 C 3.0967 0.0989 -0.2617 C.ar 1 UNL1 0.6075 17 C 2.8153 -2.3383 0.2106 C.3 1 UNL1 -0.4004 18 H -2.9355 0.3382 -1.8042 H 1 UNL1 0.1535 19 H -1.1695 1.7535 -1.1784 H 1 UNL1 0.1850 20 H -2.2053 2.4788 0.0232 H 1 UNL1 0.1739 21 H -1.0113 1.3754 1.7891 H 1 UNL1 0.1608 22 H -3.3957 -1.2312 0.6255 H 1 UNL1 0.1634 23 H -0.9809 -1.4066 -1.3709 H 1 UNL1 0.1585 24 H -2.5850 -2.2073 -1.6028 H 1 UNL1 0.1318 25 H -4.6366 1.6730 -0.8453 H 1 UNL1 0.2606 26 H -4.3518 1.1276 0.6792 H 1 UNL1 0.2599 27 H 0.2376 -1.5458 0.8221 H 1 UNL1 0.2140 28 H 3.0884 2.1988 -0.5192 H 1 UNL1 0.3454 29 H -1.9893 -3.2224 0.5388 H 1 UNL1 0.3160 30 H 3.2907 -2.5996 -0.7499 H 1 UNL1 0.1672 31 H 2.0782 -3.1217 0.4326 H 1 UNL1 0.1530 32 H 3.6061 -2.3983 0.9765 H 1 UNL1 0.1645 @BOND 1 18 8 1 2 24 12 1 3 23 12 1 4 19 9 1 5 12 2 1 6 12 10 1 7 25 6 1 8 30 17 1 9 8 9 1 10 8 6 1 11 8 10 1 12 4 16 2 13 28 7 1 14 9 20 1 15 9 11 1 16 6 26 1 17 16 7 ar 18 16 15 ar 19 7 14 ar 20 2 29 1 21 10 22 1 22 10 1 1 23 14 3 2 24 14 5 ar 25 15 17 1 26 15 13 ar 27 17 31 1 28 17 32 1 29 5 13 ar 30 5 11 1 31 13 27 1 32 11 1 1 33 11 21 1