@MOLECULE {[4-(6-amino-2-chloro-9h-purin-9-yl)-2,3-dihydroxybicyclo[3.1.0]hex-1-yl]methyl}phosphonic acid 39 42 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.9742 -2.9674 0.2510 Cl 1 UNL11111111111 0.0426 2 P 4.6701 -0.3487 0.5498 P.3 1 UNL11111111111 0.2664 3 O 2.3671 -1.2786 -2.0260 O.3 1 UNL11111111111 -0.5159 4 O 0.3507 -1.5616 -0.4573 O.3 1 UNL11111111111 -0.5210 5 O 5.1120 1.0062 1.2907 O.3 1 UNL11111111111 -0.4160 6 O 4.7989 -1.4599 1.7013 O.3 1 UNL11111111111 -0.3979 7 O 5.4499 -0.6450 -0.6559 O.2 1 UNL11111111111 -0.3752 8 N -1.2541 1.3006 0.0471 N.ar 1 UNL11111111111 -0.3225 9 N -3.0377 2.7152 0.1309 N.ar 1 UNL11111111111 -0.3325 10 N -2.4874 -0.8550 0.1459 N.ar 1 UNL11111111111 -0.5286 11 N -4.8985 -0.5490 0.2769 N.ar 1 UNL11111111111 -0.5587 12 N -5.9386 1.5398 0.3044 N.pl3 1 UNL11111111111 -0.5337 13 C 2.3915 0.7717 -0.6126 C.3 1 UNL11111111111 -0.0316 14 C 1.1214 1.7858 -0.4801 C.3 1 UNL11111111111 -0.3555 15 C 2.5341 2.2352 -0.2949 C.3 1 UNL11111111111 -0.2113 16 C 0.1143 0.8134 0.0431 C.3 1 UNL11111111111 0.0428 17 C 1.7801 -0.0481 -1.7478 C.3 1 UNL11111111111 0.1538 18 C 0.3318 -0.3382 -1.1056 C.3 1 UNL11111111111 0.1215 19 C 2.8594 -0.1417 0.5220 C.3 1 UNL11111111111 -0.1675 20 C -2.3820 0.5042 0.1238 C.ar 1 UNL11111111111 0.2714 21 C -1.7088 2.6435 0.0630 C.ar 1 UNL11111111111 0.1302 22 C -3.5011 1.4043 0.1709 C.ar 1 UNL11111111111 -0.2005 23 C -4.7945 0.8173 0.2516 C.ar 1 UNL11111111111 0.4770 24 C -3.7628 -1.2795 0.2221 C.ar 1 UNL11111111111 0.3869 25 H 0.7117 2.2584 -1.3965 H 1 UNL11111111111 0.1700 26 H 2.9504 2.5000 0.6828 H 1 UNL11111111111 0.1794 27 H 2.9051 2.9528 -1.0312 H 1 UNL11111111111 0.1629 28 H 0.3395 0.3754 1.0472 H 1 UNL11111111111 0.1761 29 H 1.6830 0.5029 -2.7043 H 1 UNL11111111111 0.1249 30 H -0.4563 -0.2959 -1.8720 H 1 UNL11111111111 0.1255 31 H 2.3975 -1.1883 0.4122 H 1 UNL11111111111 0.2429 32 H 2.5195 0.2369 1.5327 H 1 UNL11111111111 0.1936 33 H 3.3460 -1.1977 -2.1124 H 1 UNL11111111111 0.3386 34 H -0.5787 -1.8028 -0.1899 H 1 UNL11111111111 0.3532 35 H -1.0247 3.4786 0.0277 H 1 UNL11111111111 0.2040 36 H 6.1169 1.1314 1.2253 H 1 UNL11111111111 0.3214 37 H 5.7153 -1.9000 1.6501 H 1 UNL11111111111 0.3242 38 H -6.8303 1.0835 0.3640 H 1 UNL11111111111 0.3276 39 H -5.8998 2.5427 0.2932 H 1 UNL11111111111 0.3311 @BOND 1 1 24 1 2 2 5 1 3 2 6 1 4 2 7 2 5 2 19 1 6 3 17 1 7 3 33 1 8 4 18 1 9 4 34 1 10 5 36 1 11 6 37 1 12 8 16 1 13 8 20 ar 14 8 21 ar 15 9 21 ar 16 9 22 ar 17 10 20 ar 18 10 24 ar 19 11 23 ar 20 11 24 ar 21 12 23 1 22 12 38 1 23 12 39 1 24 13 14 1 25 13 15 1 26 13 17 1 27 13 19 1 28 14 15 1 29 14 16 1 30 14 25 1 31 15 26 1 32 15 27 1 33 16 18 1 34 16 28 1 35 17 18 1 36 17 29 1 37 18 30 1 38 19 31 1 39 19 32 1 40 20 22 ar 41 21 35 1 42 22 23 ar