@MOLECULE (2r,3r,4r,5s)-2-(6-amino-9h-purin-9-yl)-5-(ethylcarbamoyl)tetrahydrofuran-3,4-diyl dinitrate 42 44 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.5290 0.1675 -0.7808 C.3 1 UNL1 0.2597 2 C -0.3157 -0.7972 0.1118 C.3 1 UNL1 -0.0346 3 C -1.7281 -0.1704 0.1232 C.3 1 UNL1 0.0022 4 C -1.6460 0.9692 -0.9187 C.3 1 UNL1 -0.0219 5 C 1.7594 1.8579 0.7396 C.ar 1 UNL1 0.1690 6 C 4.7842 -0.9055 -1.0199 C.ar 1 UNL1 0.3039 7 C -4.6410 3.0740 0.1301 C.3 1 UNL1 -0.0306 8 C -6.0655 2.5381 0.2644 C.3 1 UNL1 -0.4701 9 H -4.1337 1.0820 -0.4519 H 1 UNL1 0.3142 10 H 7.1097 1.4988 0.9474 H 1 UNL1 0.3243 11 H 5.8348 2.4863 1.5732 H 1 UNL1 0.3291 12 C 5.2136 0.9323 0.3864 C.ar 1 UNL1 0.4661 13 O -1.8697 3.2789 -0.1826 O.2 1 UNL1 -0.4666 14 O -0.0324 -4.1537 -0.5803 O.2 1 UNL1 -0.2622 15 O -4.0769 -2.6795 -0.0525 O.2 1 UNL1 -0.2641 16 C -2.3879 2.2187 -0.4333 C.2 1 UNL1 0.5397 17 O -0.3680 -2.0172 -0.5933 O.2 1 UNL1 -0.2997 18 O -2.7175 -1.0324 -0.4130 O.2 1 UNL1 -0.3173 19 O -0.2792 1.2995 -1.0876 O.3 1 UNL1 -0.3397 20 N 6.1315 1.7006 1.0260 N.pl3 1 UNL1 -0.5483 21 N -3.7436 1.9992 -0.3198 N.am 1 UNL1 -0.6175 22 O 0.3354 -3.0540 1.2779 O.2 1 UNL1 -0.3349 23 O -2.9913 -1.8428 1.6580 O.2 1 UNL1 -0.3447 24 N 3.0143 2.1305 1.0749 N.ar 1 UNL1 -0.3361 25 N 3.4386 -0.7734 -1.0317 N.ar 1 UNL1 -0.5151 26 N 5.6698 -0.1204 -0.3620 N.ar 1 UNL1 -0.5682 27 N 0.0300 -3.1868 0.1234 N.pl3 1 UNL1 0.7127 28 N -3.3103 -1.9447 0.5019 N.pl3 1 UNL1 0.7089 29 C 2.9877 0.2712 -0.2971 C.ar 1 UNL1 0.2901 30 C 3.8155 1.1707 0.4513 C.ar 1 UNL1 -0.1994 31 N 1.6796 0.6966 -0.0834 N.ar 1 UNL1 -0.3876 32 H 0.8431 -0.3165 -1.7484 H 1 UNL1 0.1973 33 H 0.1070 -0.9035 1.1370 H 1 UNL1 0.1969 34 H -2.0102 0.1853 1.1394 H 1 UNL1 0.1771 35 H -2.0246 0.6511 -1.9229 H 1 UNL1 0.1809 36 H 0.8748 2.4220 1.0139 H 1 UNL1 0.2171 37 H 5.2086 -1.7381 -1.6083 H 1 UNL1 0.2028 38 H -4.5958 3.9141 -0.6035 H 1 UNL1 0.1497 39 H -4.2732 3.4856 1.0992 H 1 UNL1 0.1471 40 H -6.3981 2.0206 -0.6444 H 1 UNL1 0.1563 41 H -6.1658 1.8404 1.1046 H 1 UNL1 0.1534 42 H -6.7738 3.3583 0.4402 H 1 UNL1 0.1604 @BOND 1 35 4 1 2 32 1 1 3 37 6 1 4 19 4 1 5 19 1 1 6 25 6 ar 7 25 29 ar 8 6 26 ar 9 4 16 1 10 4 3 1 11 1 31 1 12 1 2 1 13 40 8 1 14 38 7 1 15 17 2 1 16 17 27 1 17 14 27 2 18 9 21 1 19 16 21 am 20 16 13 2 21 18 3 1 22 18 28 1 23 26 12 ar 24 21 7 1 25 29 31 ar 26 29 30 ar 27 31 5 ar 28 15 28 2 29 2 3 1 30 2 33 1 31 3 34 1 32 27 22 2 33 7 8 1 34 7 39 1 35 8 42 1 36 8 41 1 37 12 30 ar 38 12 20 1 39 30 24 ar 40 28 23 2 41 5 36 1 42 5 24 ar 43 10 20 1 44 20 11 1