@MOLECULE 18-crown-6 42 42 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.0074 0.9594 0.6312 O.3 1 UNL111111 -0.4088 2 O -0.4232 3.1969 -0.0894 O.3 1 UNL111111 -0.4079 3 O -2.6376 -1.9089 -0.6919 O.3 1 UNL111111 -0.4043 4 O 2.8710 2.0800 -0.0870 O.3 1 UNL111111 -0.3995 5 O 0.2777 -3.2637 0.5757 O.3 1 UNL111111 -0.4022 6 O 2.4371 -1.4204 -0.5432 O.3 1 UNL111111 -0.4050 7 C -2.4040 2.2334 0.6685 C.3 1 UNL111111 -0.0555 8 C -3.2242 0.4401 -0.6765 C.3 1 UNL111111 -0.0848 9 C -0.8747 2.0800 0.6636 C.3 1 UNL111111 -0.0827 10 C -3.6808 -1.0009 -0.4263 C.3 1 UNL111111 -0.0504 11 C 0.9454 3.5053 0.0696 C.3 1 UNL111111 -0.0743 12 C -1.5980 -1.9049 0.2844 C.3 1 UNL111111 -0.0632 13 C 1.8180 2.6393 -0.8500 C.3 1 UNL111111 -0.0816 14 C -0.4211 -2.5630 -0.4488 C.3 1 UNL111111 -0.0651 15 C 2.6142 0.7983 0.4516 C.3 1 UNL111111 -0.0863 16 C 1.6507 -3.4479 0.3089 C.3 1 UNL111111 -0.0498 17 C 3.2195 -0.2473 -0.4962 C.3 1 UNL111111 -0.0759 18 C 2.4386 -2.1797 0.6584 C.3 1 UNL111111 -0.0849 19 H -2.7752 2.6482 1.6233 H 1 UNL111111 0.1428 20 H -2.7437 2.8842 -0.1568 H 1 UNL111111 0.1395 21 H -2.2958 0.4741 -1.2724 H 1 UNL111111 0.1400 22 H -4.0002 1.0450 -1.1730 H 1 UNL111111 0.1216 23 H -0.4542 2.0921 1.6820 H 1 UNL111111 0.1228 24 H -0.5612 1.1536 0.1509 H 1 UNL111111 0.1308 25 H -4.0728 -1.1279 0.6010 H 1 UNL111111 0.1408 26 H -4.4515 -1.3226 -1.1528 H 1 UNL111111 0.1440 27 H 1.2701 3.4224 1.1222 H 1 UNL111111 0.1373 28 H 0.9710 4.5727 -0.2228 H 1 UNL111111 0.1438 29 H -1.9175 -2.5074 1.1536 H 1 UNL111111 0.1385 30 H -1.3668 -0.8808 0.6166 H 1 UNL111111 0.1317 31 H 1.2255 1.8798 -1.3853 H 1 UNL111111 0.1429 32 H 2.3615 3.2482 -1.5943 H 1 UNL111111 0.1424 33 H -0.7676 -3.3073 -1.1916 H 1 UNL111111 0.1386 34 H 0.2201 -1.8191 -0.9492 H 1 UNL111111 0.1415 35 H 1.5403 0.6169 0.6168 H 1 UNL111111 0.1361 36 H 3.1286 0.8313 1.4299 H 1 UNL111111 0.1370 37 H 1.8222 -3.7564 -0.7382 H 1 UNL111111 0.1380 38 H 1.9120 -4.2836 0.9857 H 1 UNL111111 0.1418 39 H 3.1830 0.0996 -1.5487 H 1 UNL111111 0.1555 40 H 4.2641 -0.4864 -0.2401 H 1 UNL111111 0.1223 41 H 1.9337 -1.6083 1.4576 H 1 UNL111111 0.1343 42 H 3.4721 -2.4096 0.9637 H 1 UNL111111 0.1184 @BOND 1 32 13 1 2 39 17 1 3 31 13 1 4 21 8 1 5 33 14 1 6 22 8 1 7 26 10 1 8 34 14 1 9 13 4 1 10 13 11 1 11 37 16 1 12 3 10 1 13 3 12 1 14 8 10 1 15 8 1 1 16 6 17 1 17 6 18 1 18 17 40 1 19 17 15 1 20 14 12 1 21 14 5 1 22 10 25 1 23 28 11 1 24 20 7 1 25 2 11 1 26 2 9 1 27 4 15 1 28 11 27 1 29 24 9 1 30 12 30 1 31 12 29 1 32 16 5 1 33 16 18 1 34 16 38 1 35 15 35 1 36 15 36 1 37 1 7 1 38 18 42 1 39 18 41 1 40 9 7 1 41 9 23 1 42 7 19 1