@MOLECULE 9-({[1,3-bis(benzyloxy)-2-propanyl]oxy}methyl)-6-chloro-9h-purin-2-amine 53 56 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -4.3610 -2.1744 0.8887 Cl 1 UNL1 0.0654 2 O 1.7078 0.4206 -0.2976 O.3 1 UNL1 -0.4277 3 O 3.9717 1.9363 0.5524 O.3 1 UNL1 -0.3899 4 O 0.3480 3.2908 -0.3425 O.3 1 UNL1 -0.3987 5 N 0.2492 -1.2731 -0.7123 N.ar 1 UNL1 -0.3471 6 N -1.0992 -2.3065 0.8223 N.ar 1 UNL1 -0.3044 7 N -1.5126 -0.2119 -2.0564 N.ar 1 UNL1 -0.3943 8 N -3.8108 -0.7656 -1.1998 N.ar 1 UNL1 -0.3805 9 N -3.4554 0.6247 -3.0495 N.pl3 1 UNL1 -0.1327 10 C 2.0193 1.6863 -0.8742 C.3 1 UNL1 0.0608 11 C 2.6862 2.4528 0.2789 C.3 1 UNL1 -0.0411 12 C 0.7398 2.3834 -1.3612 C.3 1 UNL1 -0.1033 13 C 1.4445 -0.6108 -1.2179 C.3 1 UNL1 0.1461 14 C -1.0717 -0.9460 -1.0613 C.ar 1 UNL1 0.2301 15 C 4.0002 0.8453 1.4580 C.3 1 UNL1 -0.0457 16 C -1.0509 3.4244 -0.1712 C.3 1 UNL1 -0.0356 17 C -1.8985 -1.6542 -0.0626 C.ar 1 UNL1 -0.0312 18 C 0.1797 -2.0483 0.4524 C.ar 1 UNL1 0.1970 19 C 4.1449 -0.4561 0.7254 C.ar 1 UNL1 0.0021 20 C -1.6320 2.3494 0.6998 C.ar 1 UNL1 -0.0994 21 C -3.3102 -1.4742 -0.2312 C.ar 1 UNL1 0.2237 22 C 4.7683 -0.4947 -0.5231 C.ar 1 UNL1 -0.1583 23 C -3.0212 2.1634 0.6986 C.ar 1 UNL1 -0.1393 24 C 3.6739 -1.6350 1.3074 C.ar 1 UNL1 -0.1927 25 C -0.7995 1.5866 1.5255 C.ar 1 UNL1 -0.1161 26 C -2.9427 -0.1046 -2.1319 C.ar 1 UNL1 0.3432 27 C 4.9053 -1.7071 -1.1942 C.ar 1 UNL1 -0.1522 28 C -3.6025 1.2072 1.5426 C.ar 1 UNL1 -0.2027 29 C 3.8185 -2.8472 0.6352 C.ar 1 UNL1 -0.1534 30 C -1.3490 0.6223 2.3819 C.ar 1 UNL1 -0.2097 31 C 4.4278 -2.8840 -0.6176 C.ar 1 UNL1 -0.1673 32 C -2.7040 0.5317 2.3090 C.ar 1 UNL1 0.0182 33 H 2.7415 1.5322 -1.7063 H 1 UNL1 0.1354 34 H 2.0520 2.4665 1.1835 H 1 UNL1 0.1462 35 H 2.9030 3.4980 -0.0225 H 1 UNL1 0.1589 36 H -0.0544 1.6479 -1.5839 H 1 UNL1 0.1584 37 H 0.9245 2.9917 -2.2662 H 1 UNL1 0.1388 38 H 1.2776 -0.2527 -2.2578 H 1 UNL1 0.1596 39 H 2.3107 -1.3166 -1.1576 H 1 UNL1 0.1695 40 H 3.1197 0.8508 2.1266 H 1 UNL1 0.1397 41 H 4.9091 1.0570 2.0631 H 1 UNL1 0.1470 42 H -1.1161 4.4146 0.3346 H 1 UNL1 0.1578 43 H -1.5597 3.4934 -1.1510 H 1 UNL1 0.1384 44 H 1.0646 -2.4103 0.9673 H 1 UNL1 0.2153 45 H 5.1451 0.4290 -0.9642 H 1 UNL1 0.1676 46 H -3.6575 2.7588 0.0448 H 1 UNL1 0.1644 47 H 3.2065 -1.6087 2.2869 H 1 UNL1 0.1543 48 H 0.2814 1.7344 1.4984 H 1 UNL1 0.1724 49 H 5.3930 -1.7374 -2.1667 H 1 UNL1 0.1502 50 H -4.6713 1.0314 1.5751 H 1 UNL1 0.1828 51 H 3.4648 -3.7679 1.0924 H 1 UNL1 0.1509 52 H -0.7451 0.0085 3.0388 H 1 UNL1 0.1765 53 H 4.5411 -3.8309 -1.1410 H 1 UNL1 0.1522 @BOND 1 9 26 1 2 37 12 1 3 38 13 1 4 49 27 1 5 26 7 ar 6 26 8 ar 7 7 14 ar 8 33 10 1 9 36 12 1 10 12 10 1 11 12 4 1 12 13 39 1 13 13 5 1 14 13 2 1 15 8 21 ar 16 27 31 ar 17 27 22 ar 18 43 16 1 19 53 31 1 20 14 5 ar 21 14 17 ar 22 45 22 1 23 10 2 1 24 10 11 1 25 5 18 ar 26 31 29 ar 27 22 19 ar 28 4 16 1 29 21 17 ar 30 21 1 1 31 16 42 1 32 16 20 1 33 17 6 ar 34 35 11 1 35 46 23 1 36 11 3 1 37 11 34 1 38 18 6 ar 39 18 44 1 40 3 15 1 41 29 51 1 42 29 24 ar 43 23 20 ar 44 23 28 ar 45 20 25 ar 46 19 24 ar 47 19 15 1 48 24 47 1 49 15 41 1 50 15 40 1 51 48 25 1 52 25 30 ar 53 28 50 1 54 28 32 ar 55 32 30 ar 56 30 52 1