@MOLECULE midafotel 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 P -4.1401 0.0725 0.1640 P.3 1 UNL1111111111 0.2556 2 O 4.7428 1.7440 -0.1327 O.3 1 UNL1111111111 -0.5604 3 OXT 5.8393 -0.1529 0.2890 O.2 1 UNL1111111111 -0.4936 4 O -4.3380 -1.4384 -0.3448 O.3 1 UNL1111111111 -0.3785 5 O -5.0889 0.9184 -0.8274 O.3 1 UNL1111111111 -0.4449 6 O -4.5084 0.1306 1.5770 O.2 1 UNL1111111111 -0.2747 7 N 0.9961 0.1345 0.1224 N.3 1 UNL1111111111 -0.4150 8 N 3.3499 -1.4533 -0.2672 N.3 1 UNL1111111111 -0.5371 9 C 2.3039 0.7686 -0.1767 C.3 1 UNL1111111111 -0.1157 10 CA 3.4071 -0.1407 0.4165 C.3 1 UNL1111111111 -0.0346 11 C 0.9168 -1.1880 -0.5510 C.3 1 UNL1111111111 -0.1270 12 C 2.0434 -2.0951 -0.0013 C.3 1 UNL1111111111 -0.1141 13 C -0.1184 1.0145 -0.3116 C.3 1 UNL1111111111 -0.1547 14 C 4.7916 0.4253 0.1810 C.2 1 UNL1111111111 0.6185 15 C -1.4123 0.4808 0.2474 C.2 1 UNL1111111111 -0.0116 16 C -2.5593 0.6394 -0.4310 C.2 1 UNL1111111111 -0.1628 17 H 2.3425 1.7676 0.3103 H 1 UNL1111111111 0.1546 18 H 2.4830 0.9182 -1.2631 H 1 UNL1111111111 0.1418 19 HA 3.2497 -0.2205 1.5304 H 1 UNL1111111111 0.1642 20 H 1.0064 -1.1129 -1.6556 H 1 UNL1111111111 0.1299 21 H -0.0712 -1.6434 -0.3233 H 1 UNL1111111111 0.1484 22 H 1.8700 -2.2941 1.0787 H 1 UNL1111111111 0.1305 23 H 2.0284 -3.0717 -0.5323 H 1 UNL1111111111 0.1441 24 H 4.1318 -2.0500 0.0123 H 1 UNL1111111111 0.2767 25 H -0.1630 1.1427 -1.4155 H 1 UNL1111111111 0.1295 26 H 0.0519 2.0335 0.1177 H 1 UNL1111111111 0.1628 27 H -1.2956 -0.0059 1.2266 H 1 UNL1111111111 0.1817 28 H -2.5965 1.1579 -1.4131 H 1 UNL1111111111 0.1917 29 H 5.6349 2.1449 -0.2909 H 1 UNL1111111111 0.3599 30 H -4.2570 -1.4892 -1.3571 H 1 UNL1111111111 0.3014 31 H -6.0468 0.8809 -0.4907 H 1 UNL1111111111 0.3335 @BOND 1 1 4 1 2 1 5 1 3 1 6 2 4 1 16 1 5 2 14 1 6 2 29 1 7 3 14 2 8 4 30 1 9 5 31 1 10 7 9 1 11 7 11 1 12 7 13 1 13 8 10 1 14 8 12 1 15 8 24 1 16 9 10 1 17 9 17 1 18 9 18 1 19 10 14 1 20 10 19 1 21 11 12 1 22 11 20 1 23 11 21 1 24 12 22 1 25 12 23 1 26 13 15 1 27 13 25 1 28 13 26 1 29 15 16 2 30 15 27 1 31 16 28 1