@MOLECULE [(1r,2r,4s,5s)-4-[2-chloro-6-(methylamino)-9h-purin-9-yl]-2-(phosphonooxy)bicyclo[3.1.0]hex-1-yl]methyl dihydrogen phosphate 47 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.6467 1.2159 -0.3361 C.3 1 UNL1 -0.0521 2 N 1.9507 0.9914 -0.8094 N.ar 1 UNL1 -0.3270 3 C 3.0617 0.3229 -0.3283 C.ar 1 UNL1 0.2735 4 C -0.4277 1.5094 -1.2111 C.3 1 UNL1 -0.2348 5 C 4.1373 1.2743 -0.3522 C.ar 1 UNL1 -0.2121 6 C 0.6117 0.4192 -0.9783 C.3 1 UNL1 0.1135 7 N 3.1862 -0.9623 0.1092 N.ar 1 UNL1 -0.4980 8 N 3.6684 2.4891 -0.8377 N.ar 1 UNL1 -0.3386 9 C -0.7502 2.4036 -0.0325 C.3 1 UNL1 -0.3384 10 N 5.5323 -0.4624 0.5472 N.ar 1 UNL1 -0.5689 11 C 2.3743 2.3115 -1.1032 C.ar 1 UNL1 0.1201 12 C -1.3461 -0.0224 0.5129 C.3 1 UNL1 0.1890 13 C 5.4135 0.8290 0.1036 C.ar 1 UNL1 0.4611 14 C 4.4344 -1.2521 0.5148 C.ar 1 UNL1 0.3835 15 P -2.5325 -2.0595 -0.8498 P.3 1 UNL1 0.3594 16 C 0.1523 -0.3408 0.2927 C.3 1 UNL1 -0.3589 17 P -4.9260 1.0344 0.9857 P.3 1 UNL1 0.3233 18 C -3.0319 1.5128 -0.8700 C.3 1 UNL1 0.0146 19 O -2.2122 -1.1431 0.4171 O.3 1 UNL1 -0.2759 20 O -4.0329 0.6783 -0.3031 O.3 1 UNL1 -0.3021 21 O -1.6365 -3.1765 -1.0747 O.2 1 UNL1 -0.2977 22 O -5.4309 2.3735 1.2204 O.2 1 UNL1 -0.2123 23 N 6.4948 1.6391 0.0863 N.pl3 1 UNL1 -0.4294 24 O -4.0385 -2.4532 -0.4560 O.3 1 UNL1 -0.3785 25 O -2.7710 -1.0261 -2.0350 O.3 1 UNL1 -0.2996 26 CL 4.6759 -2.8414 1.0820 Cl 1 UNL1 0.0255 27 O -6.0559 -0.0598 0.7134 O.3 1 UNL1 -0.3103 28 O -4.0863 0.4902 2.2253 O.3 1 UNL1 -0.3618 29 C 7.7864 1.2095 0.6173 C.3 1 UNL1 -0.2280 30 H -0.5125 1.8766 -2.2276 H 1 UNL1 0.1626 31 H 0.6506 -0.2856 -1.8554 H 1 UNL1 0.1711 32 H -0.1108 2.4001 0.8468 H 1 UNL1 0.1690 33 H -1.1202 3.4106 -0.2052 H 1 UNL1 0.1625 34 H 1.7004 3.0582 -1.4932 H 1 UNL1 0.2001 35 H -1.5468 0.1884 1.6046 H 1 UNL1 0.1541 36 H 0.7425 -0.0402 1.1774 H 1 UNL1 0.1671 37 H 0.3618 -1.4269 0.2040 H 1 UNL1 0.2030 38 H -3.1171 1.2041 -1.9442 H 1 UNL1 0.1477 39 H -3.2512 2.6003 -0.8228 H 1 UNL1 0.1285 40 H 6.3818 2.6043 -0.1990 H 1 UNL1 0.3347 41 H -4.0070 -3.2342 0.2033 H 1 UNL1 0.3207 42 H -3.1859 -1.5470 -2.8209 H 1 UNL1 0.3099 43 H -5.6268 -0.8410 0.1880 H 1 UNL1 0.3252 44 H -3.6111 -0.3749 1.9500 H 1 UNL1 0.3210 45 H 7.8614 1.4285 1.6986 H 1 UNL1 0.1508 46 H 8.6022 1.7224 0.0818 H 1 UNL1 0.1469 47 H 7.9256 0.1139 0.4947 H 1 UNL1 0.1857 @BOND 1 42 25 1 2 30 4 1 3 25 15 1 4 38 18 1 5 31 6 1 6 34 11 1 7 4 6 1 8 4 1 1 9 4 9 1 10 11 8 ar 11 11 2 ar 12 21 15 2 13 6 2 1 14 6 16 1 15 18 39 1 16 18 1 1 17 18 20 1 18 15 24 1 19 15 19 1 20 8 5 ar 21 2 3 ar 22 24 41 1 23 5 3 ar 24 5 13 ar 25 1 9 1 26 1 12 1 27 3 7 ar 28 20 17 1 29 33 9 1 30 40 23 1 31 9 32 1 32 46 29 1 33 23 13 1 34 23 29 1 35 13 10 ar 36 7 14 ar 37 43 27 1 38 37 16 1 39 16 12 1 40 16 36 1 41 19 12 1 42 47 29 1 43 12 35 1 44 14 10 ar 45 14 26 1 46 29 45 1 47 27 17 1 48 17 22 2 49 17 28 1 50 44 28 1