@MOLECULE n-[3-(propionylamino)propyl]guanosine 5'-(trihydrogen diphosphate) 36 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -6.2627 -1.3577 1.1749 O.3 1 UNL1 -0.0413 2 P -5.7772 0.0324 0.6408 P.3 1 UNL1 0.4241 3 O -5.6788 -0.2719 2.1809 O.3 1 UNL1 -0.1184 4 O -6.5368 1.0696 0.0046 O.2 1 UNL1 -0.1679 5 O -4.4001 0.0226 -0.1006 O.3 1 UNL1 -0.1642 6 P -2.9728 -0.6310 -0.2631 P.3 1 UNL1 0.3861 7 O -2.2613 0.3436 -1.0854 O.2 1 UNL1 -0.3371 8 O -2.8100 -2.0669 -0.1896 O.3 1 UNL1 -0.2599 9 O -2.4195 -0.1489 1.3330 O.3 1 UNL1 -0.3190 10 C -2.1465 0.3819 2.3139 C.3 1 UNL1 0.6243 11 C -1.6026 2.7533 -0.3804 C.3 2 UNL2 0.3879 12 O -0.9622 2.0016 0.4514 O.2 2 UNL2 -0.3111 13 C -1.0524 2.4846 -1.8084 C.2 2 UNL2 0.1582 14 O -1.3299 2.9929 -2.8462 O.2 2 UNL2 -0.2315 15 C -0.0005 1.3747 -1.6182 C.2 2 UNL2 0.2723 16 O 0.6740 0.7926 -2.4066 O.2 2 UNL2 -0.2725 17 C -0.0253 1.0924 -0.1244 C.2 2 UNL2 0.2817 18 N 0.4415 0.2375 0.6825 N.2 2 UNL2 -0.4080 19 C 1.3317 -0.7997 0.4017 C.2 2 UNL2 0.2839 20 N 2.5897 -0.5067 0.2708 N.pl3 2 UNL2 -0.5252 21 C -0.8414 -3.1111 -1.1537 C.1 2 UNL2 0.5710 22 N -0.0541 -2.6435 -0.3437 N.1 2 UNL2 -0.6899 23 C 0.7239 -2.2064 0.6290 C.3 2 UNL2 0.4291 24 C 4.0775 -3.4386 -1.1397 C.1 2 UNL2 0.6511 25 O 4.5111 -4.3566 -1.7031 O.2 2 UNL2 -0.2279 26 N 3.3481 -2.5531 -0.6466 N.pl3 2 UNL2 -0.5920 27 C 3.6295 -1.4267 0.1336 C.cat 2 UNL2 0.6472 28 N 4.8423 -1.2735 0.5983 N.pl3 2 UNL2 -0.4363 29 C 5.2545 -0.2738 1.3664 C.1 2 UNL2 0.2459 30 C 5.7719 0.5782 2.0726 C.1 2 UNL2 -0.2094 31 C 6.3492 1.5334 2.8559 C.1 2 UNL2 0.2001 32 N 6.8375 2.3489 3.5231 N.1 2 UNL2 -0.2524 33 C 3.3462 2.1822 -1.0382 C.1 3 UNL3 0.7313 34 O 2.2410 2.4486 -0.8060 O.3 3 UNL3 -0.3586 35 C 4.5731 1.9214 -1.3211 C.1 3 UNL3 -0.8636 36 C 5.7936 1.6602 -1.6073 C.3 3 UNL3 0.4922 @BOND 1 14 13 2 2 16 15 2 3 13 15 1 4 13 11 1 5 25 24 2 6 15 17 1 7 36 35 1 8 35 33 3 9 21 22 3 10 24 26 2 11 7 6 2 12 33 34 1 13 26 27 2 14 11 12 1 15 22 23 1 16 6 8 1 17 6 5 1 18 6 9 1 19 17 12 1 20 17 18 2 21 5 2 1 22 4 2 2 23 27 20 1 24 27 28 1 25 20 19 2 26 19 23 1 27 19 18 1 28 28 29 1 29 2 1 1 30 2 3 1 31 1 3 1 32 9 10 1 33 29 30 3 34 30 31 1 35 31 32 3