@MOLECULE shell sd 8530 29 29 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5242 -0.0025 -0.8980 O.3 1 UNL11111111111 -0.2064 2 O 2.1960 0.0102 1.2969 O.2 1 UNL11111111111 -0.2731 3 N 3.7049 -0.0086 -0.4545 N.am 1 UNL11111111111 -0.4395 4 C -2.4979 -0.0001 0.0996 C.ar 1 UNL11111111111 -0.0903 5 C -1.8145 1.2147 -0.0686 C.ar 1 UNL11111111111 0.3800 6 C -1.8151 -1.2157 -0.0655 C.ar 1 UNL11111111111 0.4056 7 C -0.4488 1.2199 -0.3589 C.ar 1 UNL11111111111 -0.6199 8 C -0.4493 -1.2225 -0.3558 C.ar 1 UNL11111111111 -0.5815 9 C 0.1996 -0.0016 -0.4911 C.ar 1 UNL11111111111 0.3051 10 C -3.9502 0.0017 0.4468 C.3 1 UNL11111111111 -0.8166 11 C -2.5183 2.5249 0.0596 C.3 1 UNL11111111111 -0.9089 12 C -2.5205 -2.5247 0.0662 C.3 1 UNL11111111111 -0.9295 13 C 2.4609 0.0011 0.1195 C.2 1 UNL11111111111 0.2766 14 C 4.8902 0.0016 0.4012 C.3 1 UNL11111111111 -0.5557 15 H 0.1022 2.1483 -0.4756 H 1 UNL11111111111 0.2844 16 H 0.1016 -2.1512 -0.4700 H 1 UNL11111111111 0.3002 17 H -4.2413 -0.8765 1.0390 H 1 UNL11111111111 0.2665 18 H -4.2363 0.8780 1.0448 H 1 UNL11111111111 0.2521 19 H -4.5711 0.0063 -0.4609 H 1 UNL11111111111 0.2465 20 H -2.8066 2.7176 1.1043 H 1 UNL11111111111 0.2793 21 H -1.8947 3.3714 -0.2600 H 1 UNL11111111111 0.2537 22 H -3.4326 2.5551 -0.5501 H 1 UNL11111111111 0.2569 23 H -1.8981 -3.3728 -0.2506 H 1 UNL11111111111 0.2770 24 H -2.8103 -2.7139 1.1111 H 1 UNL11111111111 0.2944 25 H -3.4347 -2.5554 -0.5437 H 1 UNL11111111111 0.2683 26 H 3.8298 -0.0128 -1.4513 H 1 UNL11111111111 0.3811 27 H 5.5117 -0.8904 0.2076 H 1 UNL11111111111 0.2263 28 H 4.6101 -0.0070 1.4743 H 1 UNL11111111111 0.2628 29 H 5.4927 0.9087 0.2168 H 1 UNL11111111111 0.2045 @BOND 1 1 9 1 2 1 13 1 3 2 13 2 4 3 13 am 5 3 14 1 6 3 26 1 7 4 5 ar 8 4 6 ar 9 4 10 1 10 5 7 ar 11 5 11 1 12 6 8 ar 13 6 12 1 14 7 9 ar 15 7 15 1 16 8 9 ar 17 8 16 1 18 10 17 1 19 10 18 1 20 10 19 1 21 11 20 1 22 11 21 1 23 11 22 1 24 12 23 1 25 12 24 1 26 12 25 1 27 14 27 1 28 14 28 1 29 14 29 1