@MOLECULE hba 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3585 0.0339 0.0540 O.3 1 UNL1111111111 -0.3789 2 O 3.3702 -2.5259 -0.4847 O.2 1 UNL1111111111 -0.5434 3 N 1.3840 -2.3733 0.5398 N.am 1 UNL1111111111 -0.6773 4 C -3.2783 0.6705 -0.0418 C.3 1 UNL1111111111 -0.2709 5 C -4.4635 -0.3025 -0.0000 C.3 1 UNL1111111111 -0.2688 6 C -1.9553 -0.0914 0.0784 C.3 1 UNL1111111111 -0.2943 7 C -5.7925 0.4560 -0.1142 C.3 1 UNL1111111111 -0.2526 8 C -0.7862 0.8949 0.0793 C.3 1 UNL1111111111 -0.0276 9 C -6.9746 -0.5128 -0.0977 C.3 1 UNL1111111111 -0.4401 10 C 1.5901 0.5967 0.0337 C.ar 1 UNL1111111111 0.3033 11 C 2.6504 -0.3247 -0.0025 C.ar 1 UNL1111111111 -0.2488 12 C 1.8250 1.9745 0.0392 C.ar 1 UNL1111111111 -0.3244 13 C 3.9567 0.1686 -0.0499 C.ar 1 UNL1111111111 -0.0103 14 C 3.1383 2.4354 0.0052 C.ar 1 UNL1111111111 -0.0378 15 C 4.2042 1.5389 -0.0402 C.ar 1 UNL1111111111 -0.2467 16 C 2.5040 -1.8002 -0.0279 C.2 1 UNL1111111111 0.6146 17 H -3.3716 1.4107 0.7752 H 1 UNL1111111111 0.1384 18 H -3.3019 1.2503 -0.9846 H 1 UNL1111111111 0.1407 19 H -4.3795 -1.0404 -0.8202 H 1 UNL1111111111 0.1406 20 H -4.4442 -0.8890 0.9375 H 1 UNL1111111111 0.1386 21 H -1.8428 -0.8081 -0.7605 H 1 UNL1111111111 0.1606 22 H -1.9407 -0.7045 0.9997 H 1 UNL1111111111 0.1501 23 H -5.8883 1.1820 0.7153 H 1 UNL1111111111 0.1336 24 H -5.8087 1.0548 -1.0445 H 1 UNL1111111111 0.1347 25 H -0.7761 1.5340 -0.8204 H 1 UNL1111111111 0.1328 26 H -0.7556 1.5126 0.9922 H 1 UNL1111111111 0.1290 27 H -7.9254 0.0197 -0.2124 H 1 UNL1111111111 0.1423 28 H -6.9074 -1.2431 -0.9121 H 1 UNL1111111111 0.1442 29 H -7.0184 -1.0753 0.8429 H 1 UNL1111111111 0.1434 30 H 1.0080 2.6855 0.0680 H 1 UNL1111111111 0.1635 31 H 4.7898 -0.5433 -0.1009 H 1 UNL1111111111 0.1792 32 H 3.3316 3.5089 0.0124 H 1 UNL1111111111 0.1473 33 H 5.2266 1.9066 -0.0720 H 1 UNL1111111111 0.1613 34 H 0.6120 -1.8274 0.8516 H 1 UNL1111111111 0.3125 35 H 1.2720 -3.3669 0.5148 H 1 UNL1111111111 0.3112 @BOND 1 1 8 1 2 1 10 1 3 2 16 2 4 3 16 am 5 3 34 1 6 3 35 1 7 4 5 1 8 4 6 1 9 4 17 1 10 4 18 1 11 5 7 1 12 5 19 1 13 5 20 1 14 6 8 1 15 6 21 1 16 6 22 1 17 7 9 1 18 7 23 1 19 7 24 1 20 8 25 1 21 8 26 1 22 9 27 1 23 9 28 1 24 9 29 1 25 10 11 ar 26 10 12 ar 27 11 13 ar 28 11 16 1 29 12 14 ar 30 12 30 1 31 13 15 ar 32 13 31 1 33 14 15 ar 34 14 32 1 35 15 33 1