@MOLECULE 4-heptyl-1h-pyrazole 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 N 4.4836 0.5765 0.5977 N.ar 1 UNL1111111111 -0.2007 2 N 4.4682 -0.7760 0.5570 N.ar 1 UNL1111111111 -0.2744 3 C -1.2556 0.0163 -0.6780 C.3 1 UNL1111111111 -0.2909 4 C -2.3715 0.0384 0.3743 C.3 1 UNL1111111111 -0.5772 5 C 0.1207 0.0617 -0.0034 C.3 1 UNL1111111111 -0.0605 6 C -3.7499 -0.0179 -0.2958 C.3 1 UNL1111111111 -0.1653 7 C 1.2419 0.0689 -1.0580 C.3 1 UNL1111111111 -0.6709 8 C -4.8674 -0.0007 0.7558 C.3 1 UNL1111111111 -0.1612 9 C 2.5615 0.0346 -0.4014 C.ar 1 UNL1111111111 0.0506 10 C -6.2430 -0.0532 0.0909 C.3 1 UNL1111111111 -0.8263 11 C 3.3418 1.1140 0.0239 C.ar 1 UNL1111111111 -0.3305 12 C 3.3090 -1.1335 -0.0451 C.ar 1 UNL1111111111 -0.1180 13 H -1.3425 -0.8926 -1.3022 H 1 UNL1111111111 0.1676 14 H -1.3693 0.8724 -1.3687 H 1 UNL1111111111 0.1414 15 H -2.2532 -0.8137 1.0696 H 1 UNL1111111111 0.2206 16 H -2.2890 0.9500 0.9950 H 1 UNL1111111111 0.2021 17 H 0.2054 0.9564 0.6404 H 1 UNL1111111111 0.1251 18 H 0.2461 -0.8069 0.6705 H 1 UNL1111111111 0.1394 19 H -3.8709 0.8353 -0.9885 H 1 UNL1111111111 0.1196 20 H -3.8329 -0.9275 -0.9191 H 1 UNL1111111111 0.1392 21 H 1.1444 0.9652 -1.7053 H 1 UNL1111111111 0.2320 22 H 1.1225 -0.7998 -1.7399 H 1 UNL1111111111 0.2315 23 H -4.7845 0.9081 1.3813 H 1 UNL1111111111 0.1337 24 H -4.7492 -0.8562 1.4474 H 1 UNL1111111111 0.1535 25 H -6.3637 -0.9626 -0.5083 H 1 UNL1111111111 0.2375 26 H -6.3993 0.8031 -0.5743 H 1 UNL1111111111 0.2183 27 H -7.0452 -0.0415 0.8369 H 1 UNL1111111111 0.2445 28 H 3.1629 2.1665 -0.0439 H 1 UNL1111111111 0.2578 29 H 3.0430 -2.1607 -0.2044 H 1 UNL1111111111 0.2519 30 H 5.2661 1.0431 1.0046 H 1 UNL1111111111 0.4098 @BOND 1 1 2 ar 2 1 11 ar 3 1 30 1 4 2 12 ar 5 3 4 1 6 3 5 1 7 3 13 1 8 3 14 1 9 4 6 1 10 4 15 1 11 4 16 1 12 5 7 1 13 5 17 1 14 5 18 1 15 6 8 1 16 6 19 1 17 6 20 1 18 7 9 1 19 7 21 1 20 7 22 1 21 8 10 1 22 8 23 1 23 8 24 1 24 9 11 ar 25 9 12 ar 26 10 25 1 27 10 26 1 28 10 27 1 29 11 28 1 30 12 29 1