@MOLECULE [(1R,4S,6S)-4-(6-amino-8H-purin-9-ium-8-ylium-9-yl)-6-hydroxy-cyclohex-2-en-1-yl]methyl dihydrogen phosphate 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9265 -2.3150 0.1970 O.3 1 UNL1111 -0.3568 2 O 4.8979 -1.4861 -1.3257 O.2 1 UNL1111 -0.3118 3 P 4.0413 -1.2317 -0.1765 P.3 1 UNL1111 0.3414 4 O 4.7528 -1.0241 1.2419 O.3 1 UNL1111 -0.3755 5 O 3.2140 0.1092 -0.3453 O.3 1 UNL1111 -0.1798 6 C 2.1259 0.4468 0.5588 C.3 1 UNL1111 -0.0271 7 C 1.7091 1.8067 -0.0566 C.3 1 UNL1111 -0.2174 8 C 0.8750 2.6006 0.9650 C.3 1 UNL1111 0.1723 9 O 0.6935 3.9473 0.5598 O.3 1 UNL1111 -0.5781 10 C -0.5361 2.0248 1.1039 C.3 1 UNL1111 -0.3406 11 C -1.2535 2.0670 -0.2607 C.3 1 UNL1111 0.1150 12 C -0.3790 1.6271 -1.4054 C.2 1 UNL1111 -0.2169 13 C 0.9486 1.5326 -1.3148 C.2 1 UNL1111 -0.1003 14 N -2.4412 1.2059 -0.2010 N.ar 1 UNL1111 -0.3420 15 C -3.7875 1.5960 -0.4038 C.ar 1 UNL1111 0.1169 16 N -4.6228 0.5602 -0.3264 N.ar 1 UNL1111 -0.3361 17 C -3.8345 -0.5572 -0.0723 C.ar 1 UNL1111 -0.2058 18 C -2.4539 -0.1637 0.0116 C.ar 1 UNL1111 0.2813 19 N -1.4310 -1.0251 0.2626 N.ar 1 UNL1111 -0.5073 20 C -4.1125 -1.9395 0.1028 C.ar 1 UNL1111 0.4665 21 N -5.3711 -2.4479 0.0521 N.pl3 1 UNL1111 -0.5545 22 N -3.0765 -2.7994 0.3324 N.ar 1 UNL1111 -0.5775 23 C -1.8117 -2.3092 0.4010 C.ar 1 UNL1111 0.2915 24 H 3.1295 -3.1764 -0.3165 H 1 UNL1111 0.3183 25 H 5.7192 -1.3488 1.1694 H 1 UNL1111 0.3195 26 H 1.2918 -0.2891 0.5080 H 1 UNL1111 0.1727 27 H 2.4649 0.5623 1.6046 H 1 UNL1111 0.1332 28 H 2.6397 2.3855 -0.2966 H 1 UNL1111 0.1636 29 H 1.3870 2.6611 1.9532 H 1 UNL1111 0.1281 30 H 1.3265 4.2131 -0.1285 H 1 UNL1111 0.3224 31 H -1.1116 2.6005 1.8514 H 1 UNL1111 0.1610 32 H -0.4795 0.9830 1.4855 H 1 UNL1111 0.1836 33 H -1.5954 3.1253 -0.4562 H 1 UNL1111 0.1655 34 H -0.9133 1.3900 -2.3230 H 1 UNL1111 0.1588 35 H 1.5631 1.2041 -2.1560 H 1 UNL1111 0.1640 36 H -4.0669 2.6217 -0.5912 H 1 UNL1111 0.1983 37 H -6.1497 -1.8377 -0.1080 H 1 UNL1111 0.3283 38 H -5.5320 -3.4280 0.1803 H 1 UNL1111 0.3229 39 H -1.0141 -3.0490 0.5941 H 1 UNL1111 0.2023 @BOND 1 1 3 1 2 1 24 1 3 2 3 2 4 3 4 1 5 3 5 1 6 4 25 1 7 5 6 1 8 6 7 1 9 6 26 1 10 6 27 1 11 7 13 1 12 7 8 1 13 7 28 1 14 8 9 1 15 8 10 1 16 8 29 1 17 9 30 1 18 10 11 1 19 10 31 1 20 10 32 1 21 11 12 1 22 11 14 1 23 11 33 1 24 12 13 2 25 12 34 1 26 13 35 1 27 14 15 ar 28 14 18 ar 29 15 16 ar 30 15 36 1 31 16 17 ar 32 17 18 ar 33 17 20 ar 34 18 19 ar 35 19 23 ar 36 20 22 ar 37 20 21 1 38 21 37 1 39 21 38 1 40 22 23 ar 41 23 39 1