@MOLECULE 9-(2-deoxy-d-erythro-pentofuranosyl)-n-(2,3,4-trihydroxy-7,12-dimethyl-1,2,3,4-tetrahydro-1-tetraphenyl)-9h-purin-6-amine 72 78 0 0 0 SMALL GASTEIGER @ATOM 1 O4* -4.7889 -1.6479 0.9808 O.3 1 UNL1111111111 -0.4125 2 O 4.1470 -3.3766 -0.8565 O.3 1 UNL1111111111 -0.5763 3 O 5.9707 -1.3211 -0.8964 O.3 1 UNL1111111111 -0.5639 4 O 6.4457 0.1686 1.2705 O.3 1 UNL1111111111 -0.5394 5 O3* -6.6951 0.8411 1.7456 O.3 1 UNL1111111111 -0.5456 6 O5* -5.7305 -2.8277 -1.2162 O.3 1 UNL1111111111 -0.5183 7 N 1.7291 -1.7274 -0.8742 N.pl3 1 UNL1111111111 -0.5074 8 N -2.6555 -0.9135 0.5248 N.ar 1 UNL1111111111 -0.3782 9 N -1.3252 -1.4877 -1.2349 N.ar 1 UNL1111111111 -0.3457 10 N 1.2995 -1.3233 1.4386 N.ar 1 UNL1111111111 -0.5469 11 N -0.9151 -0.8591 2.2975 N.ar 1 UNL1111111111 -0.4917 12 C 3.1080 -1.1958 -0.8206 C.3 1 UNL1111111111 0.0479 13 C 3.9236 -2.2527 -0.0247 C.3 1 UNL1111111111 0.0858 14 C 3.1886 0.1968 -0.2237 C.ar 1 UNL1111111111 -0.0367 15 C 5.3275 -1.7322 0.2957 C.3 1 UNL1111111111 0.0658 16 C 5.2004 -0.4797 1.1833 C.3 1 UNL1111111111 0.1227 17 C 4.1352 0.4814 0.7184 C.ar 1 UNL1111111111 -0.0388 18 C 2.1743 1.1792 -0.5493 C.ar 1 UNL1111111111 -0.0304 19 C1* -3.8423 -0.6611 1.3381 C.3 1 UNL1111111111 0.3162 20 C 1.9833 2.2636 0.3646 C.ar 1 UNL1111111111 -0.0265 21 C2* -4.4556 0.7242 1.0763 C.3 1 UNL1111111111 -0.3661 22 C3* -5.9014 0.4486 0.6469 C.3 1 UNL1111111111 0.1201 23 C4* -5.9725 -1.0793 0.4371 C.3 1 UNL1111111111 0.0018 24 C 4.1030 1.7229 1.4306 C.ar 1 UNL1111111111 -0.1410 25 C 1.3341 1.1228 -1.6704 C.ar 1 UNL1111111111 -0.0046 26 C 3.0379 2.5524 1.2987 C.ar 1 UNL1111111111 -0.1419 27 C 0.8084 3.0239 0.3279 C.ar 1 UNL1111111111 0.0119 28 C 0.8531 -1.4736 0.1637 C.ar 1 UNL1111111111 0.4587 29 C 0.0771 1.7615 -1.6218 C.ar 1 UNL1111111111 -0.0300 30 C -0.2144 2.6736 -0.5745 C.ar 1 UNL1111111111 -0.0355 31 C -0.5423 -1.3936 -0.0846 C.ar 1 UNL1111111111 -0.1871 32 C -1.3709 -1.0508 1.0342 C.ar 1 UNL1111111111 0.2814 33 C5* -6.0486 -1.4662 -1.0480 C.3 1 UNL1111111111 -0.0521 34 C 1.7589 0.4897 -2.9541 C.3 1 UNL1111111111 -0.4435 35 C -2.5720 -1.2118 -0.8587 C.ar 1 UNL1111111111 0.1434 36 C 0.6252 4.1845 1.2481 C.3 1 UNL1111111111 -0.4420 37 C -0.9441 1.4727 -2.5856 C.ar 1 UNL1111111111 -0.1202 38 C -1.5352 3.2189 -0.4862 C.ar 1 UNL1111111111 -0.1392 39 C 0.4144 -1.0304 2.4286 C.ar 1 UNL1111111111 0.2934 40 C -2.1920 2.0121 -2.4747 C.ar 1 UNL1111111111 -0.1649 41 C -2.4943 2.8969 -1.4015 C.ar 1 UNL1111111111 -0.1640 42 H 3.5138 -1.1685 -1.8713 H 1 UNL1111111111 0.1711 43 H 3.3826 -2.5822 0.8925 H 1 UNL1111111111 0.1684 44 H 5.9558 -2.5152 0.7761 H 1 UNL1111111111 0.1429 45 H 4.9991 -0.7794 2.2457 H 1 UNL1111111111 0.1599 46 H1* -3.5934 -0.8590 2.4170 H 1 UNL1111111111 0.1870 47 H 1.2914 -1.7335 -1.7990 H 1 UNL1111111111 0.3234 48 H2*1 -3.8918 1.3026 0.3205 H 1 UNL1111111111 0.1797 49 H2*2 -4.4387 1.3448 1.9988 H 1 UNL1111111111 0.1969 50 H3* -6.2166 1.0340 -0.2391 H 1 UNL1111111111 0.1263 51 H4* -6.7802 -1.5630 1.0297 H 1 UNL1111111111 0.1656 52 H 4.9303 1.9482 2.1036 H 1 UNL1111111111 0.1677 53 H 2.9647 3.4555 1.9019 H 1 UNL1111111111 0.1533 54 H 3.2837 -3.7651 -1.1161 H 1 UNL1111111111 0.3378 55 H 5.9740 -2.0772 -1.5275 H 1 UNL1111111111 0.3394 56 H 6.8037 0.3232 0.3653 H 1 UNL1111111111 0.3380 57 H5*1 -5.3677 -0.8635 -1.6772 H 1 UNL1111111111 0.1196 58 H5*2 -7.0764 -1.3845 -1.4383 H 1 UNL1111111111 0.1452 59 H 2.8306 0.2450 -2.9718 H 1 UNL1111111111 0.1607 60 H 1.1837 -0.4123 -3.2050 H 1 UNL1111111111 0.1577 61 H 1.6068 1.1977 -3.7886 H 1 UNL1111111111 0.1695 62 H -3.4366 -1.2005 -1.5049 H 1 UNL1111111111 0.1983 63 H -0.1126 4.9099 0.8776 H 1 UNL1111111111 0.1565 64 H 0.2901 3.8460 2.2407 H 1 UNL1111111111 0.1647 65 H 1.5564 4.7542 1.3863 H 1 UNL1111111111 0.1601 66 H3* -7.6428 0.6743 1.5815 H 1 UNL1111111111 0.3163 67 H -0.7159 0.7770 -3.3911 H 1 UNL1111111111 0.1603 68 H -1.7659 3.8892 0.3422 H 1 UNL1111111111 0.1542 69 H 0.8422 -0.9071 3.4385 H 1 UNL1111111111 0.2008 70 H -2.9700 1.7756 -3.1951 H 1 UNL1111111111 0.1465 71 H -3.4958 3.3128 -1.3344 H 1 UNL1111111111 0.1433 72 H5* -4.8991 -3.0255 -0.7215 H 1 UNL1111111111 0.3304 @BOND 1 1 19 1 2 1 23 1 3 2 13 1 4 2 54 1 5 3 15 1 6 3 55 1 7 4 16 1 8 4 56 1 9 5 22 1 10 5 66 1 11 6 33 1 12 6 72 1 13 7 12 1 14 7 28 1 15 7 47 1 16 8 19 1 17 8 32 ar 18 8 35 ar 19 9 31 ar 20 9 35 ar 21 10 28 ar 22 10 39 ar 23 11 32 ar 24 11 39 ar 25 12 13 1 26 12 14 1 27 12 42 1 28 13 15 1 29 13 43 1 30 14 17 ar 31 14 18 ar 32 15 16 1 33 15 44 1 34 16 17 1 35 16 45 1 36 17 24 ar 37 18 20 ar 38 18 25 ar 39 19 21 1 40 19 46 1 41 20 26 ar 42 20 27 ar 43 21 22 1 44 21 48 1 45 21 49 1 46 22 23 1 47 22 50 1 48 23 33 1 49 23 51 1 50 24 26 ar 51 24 52 1 52 25 29 ar 53 25 34 1 54 26 53 1 55 27 30 ar 56 27 36 1 57 28 31 ar 58 29 30 ar 59 29 37 ar 60 30 38 ar 61 31 32 ar 62 33 57 1 63 33 58 1 64 34 59 1 65 34 60 1 66 34 61 1 67 35 62 1 68 36 63 1 69 36 64 1 70 36 65 1 71 37 40 ar 72 37 67 1 73 38 41 ar 74 38 68 1 75 39 69 1 76 40 41 ar 77 40 70 1 78 41 71 1