@MOLECULE octandinitril 22 21 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.9255 -0.9876 0.3176 N.1 1 UNL1111111111 -0.2593 2 N 3.9029 -1.7781 -0.3580 N.1 1 UNL1111111111 -0.2624 3 C -0.4432 0.8606 -0.2857 C.3 1 UNL1111111111 -0.2712 4 C 0.8559 0.3682 0.3639 C.3 1 UNL1111111111 -0.2718 5 C -1.6297 0.0245 0.2046 C.3 1 UNL1111111111 -0.2572 6 C 2.0614 1.1444 -0.1788 C.3 1 UNL1111111111 -0.2592 7 C -2.9318 0.4823 -0.4756 C.3 1 UNL1111111111 -0.2654 8 C 3.3751 0.6400 0.4429 C.3 1 UNL1111111111 -0.2662 9 C -4.0408 -0.3316 -0.0358 C.1 1 UNL1111111111 0.1133 10 C 3.6716 -0.7028 0.0002 C.1 1 UNL1111111111 0.1177 11 H -0.3617 0.7965 -1.3882 H 1 UNL1111111111 0.1429 12 H -0.6030 1.9301 -0.0529 H 1 UNL1111111111 0.1399 13 H 0.7958 0.4733 1.4636 H 1 UNL1111111111 0.1423 14 H 0.9877 -0.7160 0.1719 H 1 UNL1111111111 0.1513 15 H -1.7272 0.1047 1.3049 H 1 UNL1111111111 0.1500 16 H -1.4517 -1.0497 -0.0045 H 1 UNL1111111111 0.1544 17 H 2.1070 1.0565 -1.2823 H 1 UNL1111111111 0.1504 18 H 1.9439 2.2250 0.0324 H 1 UNL1111111111 0.1463 19 H -2.8235 0.4249 -1.5857 H 1 UNL1111111111 0.1773 20 H -3.1239 1.5589 -0.2535 H 1 UNL1111111111 0.1744 21 H 4.2112 1.3295 0.1734 H 1 UNL1111111111 0.1751 22 H 3.3116 0.6796 1.5570 H 1 UNL1111111111 0.1775 @BOND 1 1 9 3 2 2 10 3 3 3 4 1 4 3 5 1 5 3 11 1 6 3 12 1 7 4 6 1 8 4 13 1 9 4 14 1 10 5 7 1 11 5 15 1 12 5 16 1 13 6 8 1 14 6 17 1 15 6 18 1 16 7 9 1 17 7 19 1 18 7 20 1 19 8 10 1 20 8 21 1 21 8 22 1