@MOLECULE exp561 34 36 0 0 0 SMALL GASTEIGER @ATOM 1 N -4.1798 0.0693 -0.0043 N.3 1 UNL1111111111 -0.6874 2 C -0.1014 -0.0115 -0.0010 C.3 1 UNL1111111111 0.0505 3 C -2.7038 0.0001 0.0014 C.3 1 UNL1111111111 0.2391 4 C -0.6379 0.7308 -1.2483 C.3 1 UNL1111111111 -0.2748 5 C -0.6555 -1.4556 -0.0144 C.3 1 UNL1111111111 -0.2738 6 C -0.6362 0.7074 1.2609 C.3 1 UNL1111111111 -0.2739 7 C -2.1764 0.7405 -1.2495 C.3 1 UNL1111111111 -0.2873 8 C -2.1874 -1.4599 -0.0121 C.3 1 UNL1111111111 -0.3337 9 C -2.1743 0.7158 1.2657 C.3 1 UNL1111111111 -0.2894 10 C 1.4127 -0.0121 -0.0009 C.ar 1 UNL1111111111 -0.0115 11 C 2.1165 1.1976 0.0005 C.ar 1 UNL1111111111 -0.1740 12 C 2.1424 -1.2037 0.0006 C.ar 1 UNL1111111111 -0.1770 13 C 3.5092 1.2076 -0.0009 C.ar 1 UNL1111111111 -0.1371 14 C 3.5354 -1.1942 0.0004 C.ar 1 UNL1111111111 -0.1371 15 C 4.2271 0.0128 -0.0005 C.ar 1 UNL1111111111 -0.1624 16 H -0.2533 0.2471 -2.1637 H 1 UNL1111111111 0.1400 17 H -0.2533 1.7665 -1.2687 H 1 UNL1111111111 0.1383 18 H -0.2793 -2.0071 0.8712 H 1 UNL1111111111 0.1399 19 H -0.2811 -1.9887 -0.9086 H 1 UNL1111111111 0.1399 20 H -0.2511 1.7435 1.2984 H 1 UNL1111111111 0.1387 21 H -0.2477 0.2067 2.1655 H 1 UNL1111111111 0.1400 22 H -2.5683 1.7757 -1.2449 H 1 UNL1111111111 0.1524 23 H -2.5684 0.2771 -2.1676 H 1 UNL1111111111 0.1342 24 H -2.5708 -1.9947 -0.8982 H 1 UNL1111111111 0.1358 25 H -2.5681 -2.0082 0.8660 H 1 UNL1111111111 0.1355 26 H -2.5657 0.2367 2.1768 H 1 UNL1111111111 0.1336 27 H -2.5617 1.7523 1.2803 H 1 UNL1111111111 0.1520 28 H -4.5891 -0.3098 0.8347 H 1 UNL1111111111 0.2525 29 H -4.5843 -0.3838 -0.8044 H 1 UNL1111111111 0.2525 30 H 1.5745 2.1423 -0.0005 H 1 UNL1111111111 0.1516 31 H 1.6425 -2.1715 0.0016 H 1 UNL1111111111 0.1533 32 H 4.0429 2.1552 -0.0012 H 1 UNL1111111111 0.1461 33 H 4.0792 -2.1371 0.0011 H 1 UNL1111111111 0.1466 34 H 5.3139 0.0260 -0.0008 H 1 UNL1111111111 0.1467 @BOND 1 1 3 1 2 1 28 1 3 1 29 1 4 2 4 1 5 2 5 1 6 2 6 1 7 2 10 1 8 3 7 1 9 3 8 1 10 3 9 1 11 4 7 1 12 4 16 1 13 4 17 1 14 5 8 1 15 5 18 1 16 5 19 1 17 6 9 1 18 6 20 1 19 6 21 1 20 7 22 1 21 7 23 1 22 8 24 1 23 8 25 1 24 9 26 1 25 9 27 1 26 10 11 ar 27 10 12 ar 28 11 13 ar 29 11 30 1 30 12 14 ar 31 12 31 1 32 13 15 ar 33 13 32 1 34 14 15 ar 35 14 33 1 36 15 34 1