@MOLECULE pseudo-conhydrine 27 27 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.6476 0.2532 0.1275 O.3 1 UNL1111111111 -0.5657 2 N -0.3448 -1.3445 -0.2376 N.3 1 UNL1111111111 -0.5568 3 C 0.5206 -0.2307 0.2344 C.3 1 UNL1111111111 0.0524 4 C -0.0272 1.0856 -0.3608 C.3 1 UNL1111111111 -0.2785 5 C -1.4707 1.3150 0.0927 C.3 1 UNL1111111111 -0.3330 6 C -2.3200 0.1069 -0.3226 C.3 1 UNL1111111111 0.1674 7 C -1.7317 -1.2045 0.2506 C.3 1 UNL1111111111 -0.1688 8 C 1.9568 -0.5047 -0.2592 C.3 1 UNL1111111111 -0.3027 9 C 2.9673 0.4280 0.4171 C.3 1 UNL1111111111 -0.2497 10 C 4.3876 0.1181 -0.0560 C.3 1 UNL1111111111 -0.4367 11 H 0.5183 -0.1571 1.3515 H 1 UNL1111111111 0.1088 12 H 0.0183 1.0346 -1.4669 H 1 UNL1111111111 0.1568 13 H 0.6128 1.9328 -0.0613 H 1 UNL1111111111 0.1369 14 H -1.5180 1.4691 1.1849 H 1 UNL1111111111 0.1379 15 H -1.8812 2.2366 -0.3606 H 1 UNL1111111111 0.1520 16 H -2.4439 0.0439 -1.4270 H 1 UNL1111111111 0.1545 17 H -1.8150 -1.2106 1.3563 H 1 UNL1111111111 0.1123 18 H -2.3231 -2.0678 -0.1265 H 1 UNL1111111111 0.1522 19 H 2.0009 -0.3943 -1.3598 H 1 UNL1111111111 0.1558 20 H 2.2325 -1.5581 -0.0628 H 1 UNL1111111111 0.1402 21 H 0.0414 -2.2480 0.0278 H 1 UNL1111111111 0.2567 22 H 2.9051 0.3257 1.5171 H 1 UNL1111111111 0.1331 23 H 2.7212 1.4842 0.1962 H 1 UNL1111111111 0.1354 24 H -3.6911 0.3880 1.0916 H 1 UNL1111111111 0.3112 25 H 4.6784 -0.9091 0.1911 H 1 UNL1111111111 0.1430 26 H 4.4825 0.2351 -1.1416 H 1 UNL1111111111 0.1443 27 H 5.1169 0.7882 0.4125 H 1 UNL1111111111 0.1410 @BOND 1 1 6 1 2 1 24 1 3 2 3 1 4 2 7 1 5 2 21 1 6 3 4 1 7 3 8 1 8 3 11 1 9 4 5 1 10 4 12 1 11 4 13 1 12 5 6 1 13 5 14 1 14 5 15 1 15 6 7 1 16 6 16 1 17 7 17 1 18 7 18 1 19 8 9 1 20 8 19 1 21 8 20 1 22 9 10 1 23 9 22 1 24 9 23 1 25 10 25 1 26 10 26 1 27 10 27 1