@MOLECULE p-nitrophenyl adipate 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.2879 1.1501 0.1045 O.3 1 UNL11111111111 -0.4307 2 O -1.5174 -2.1238 -0.8016 O.3 1 UNL11111111111 -0.4270 3 O -2.9705 3.2580 0.4848 O.2 1 UNL11111111111 -0.4604 4 O -2.4920 -2.5571 1.1923 O.2 1 UNL11111111111 -0.4639 5 O 3.6902 2.9476 0.2140 O.2 1 UNL11111111111 -0.3859 6 O 4.6443 -1.9934 -0.0528 O.2 1 UNL11111111111 -0.3920 7 O 3.6717 1.6661 -1.5168 O.2 1 UNL11111111111 -0.4035 8 O 4.0581 -0.9575 1.7419 O.2 1 UNL11111111111 -0.4030 9 N 3.1199 2.2168 -0.5773 N.pl3 1 UNL11111111111 0.6295 10 N 3.7995 -1.5420 0.7018 N.pl3 1 UNL11111111111 0.6335 11 C -4.5720 -0.0724 0.4626 C.3 1 UNL11111111111 -0.2544 12 C -4.2258 -0.6819 -0.9032 C.3 1 UNL11111111111 -0.2515 13 C -4.5996 1.4574 0.4157 C.3 1 UNL11111111111 -0.3429 14 C -3.8507 -2.1648 -0.7875 C.3 1 UNL11111111111 -0.3431 15 C -3.2485 2.0999 0.3605 C.2 1 UNL11111111111 0.6103 16 C -2.6016 -2.3084 0.0274 C.2 1 UNL11111111111 0.6255 17 C -0.9802 1.5315 -0.0551 C.ar 1 UNL11111111111 0.2875 18 C -0.2434 -2.0250 -0.3169 C.ar 1 UNL11111111111 0.3072 19 C -0.2943 2.2328 0.9359 C.ar 1 UNL11111111111 -0.2349 20 C 0.7359 -2.3462 -1.2686 C.ar 1 UNL11111111111 -0.2539 21 C -0.3672 1.0658 -1.2229 C.ar 1 UNL11111111111 -0.2439 22 C 0.0768 -1.5596 0.9594 C.ar 1 UNL11111111111 -0.2659 23 C 1.6952 1.9864 -0.3969 C.ar 1 UNL11111111111 -0.1192 24 C 2.4010 -1.7135 0.3478 C.ar 1 UNL11111111111 -0.1342 25 C 1.0663 2.4598 0.7597 C.ar 1 UNL11111111111 -0.0363 26 C 2.0706 -2.1864 -0.9283 C.ar 1 UNL11111111111 -0.0343 27 C 0.9906 1.2978 -1.3919 C.ar 1 UNL11111111111 -0.0460 28 C 1.4170 -1.4039 1.2923 C.ar 1 UNL11111111111 -0.0321 29 H -3.8484 -0.4105 1.2355 H 1 UNL11111111111 0.1669 30 H -5.5558 -0.4527 0.8038 H 1 UNL11111111111 0.1485 31 H -5.0840 -0.5721 -1.5953 H 1 UNL11111111111 0.1474 32 H -3.3895 -0.1269 -1.3785 H 1 UNL11111111111 0.1643 33 H -5.1935 1.8107 -0.4584 H 1 UNL11111111111 0.1844 34 H -5.1361 1.8557 1.3093 H 1 UNL11111111111 0.1860 35 H -4.6690 -2.7439 -0.3070 H 1 UNL11111111111 0.1818 36 H -3.7134 -2.6032 -1.8003 H 1 UNL11111111111 0.1812 37 H -0.8174 2.6001 1.8178 H 1 UNL11111111111 0.1874 38 H 0.4403 -2.7113 -2.2502 H 1 UNL11111111111 0.1817 39 H -0.9476 0.5269 -1.9690 H 1 UNL11111111111 0.1796 40 H -0.6995 -1.3223 1.6872 H 1 UNL11111111111 0.1952 41 H 1.6434 3.0025 1.5182 H 1 UNL11111111111 0.1925 42 H 2.8636 -2.4249 -1.6476 H 1 UNL11111111111 0.1906 43 H 1.5084 0.9470 -2.2919 H 1 UNL11111111111 0.1888 44 H 1.7017 -1.0380 2.2860 H 1 UNL11111111111 0.1893 @BOND 1 1 15 1 2 1 17 1 3 2 16 1 4 2 18 1 5 3 15 2 6 4 16 2 7 5 9 2 8 6 10 2 9 7 9 2 10 8 10 2 11 9 23 1 12 10 24 1 13 11 12 1 14 11 13 1 15 11 29 1 16 11 30 1 17 12 14 1 18 12 31 1 19 12 32 1 20 13 15 1 21 13 33 1 22 13 34 1 23 14 16 1 24 14 35 1 25 14 36 1 26 17 19 ar 27 17 21 ar 28 18 20 ar 29 18 22 ar 30 19 25 ar 31 19 37 1 32 20 26 ar 33 20 38 1 34 21 27 ar 35 21 39 1 36 22 28 ar 37 22 40 1 38 23 25 ar 39 23 27 ar 40 24 26 ar 41 24 28 ar 42 25 41 1 43 26 42 1 44 27 43 1 45 28 44 1