@MOLECULE potamogetonyde 56 58 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.3925 0.9233 -0.6295 O.3 1 UNL1111111111 -0.4196 2 O -0.0717 1.2739 -1.8496 O.2 1 UNL1111111111 -0.4494 3 O 6.9703 0.4204 -0.7846 O.2 1 UNL1111111111 -0.1743 4 O -5.4535 -1.0465 -0.9011 O.2 1 UNL1111111111 -0.5223 5 C -0.0520 0.1406 0.2615 C.3 1 UNL1111111111 -0.0737 6 C -1.2624 -0.6003 0.8934 C.3 1 UNL1111111111 -0.1354 7 C -2.6030 0.1785 0.8097 C.3 1 UNL1111111111 0.0417 8 C 1.2382 -0.6933 0.5620 C.3 1 UNL1111111111 -0.1409 9 C 0.0619 1.5372 0.8949 C.3 1 UNL1111111111 -0.2699 10 C -1.3880 -2.0308 0.3450 C.3 1 UNL1111111111 -0.2818 11 C -2.4116 1.5911 1.3998 C.3 1 UNL1111111111 -0.2902 12 C -1.2383 2.3342 0.7629 C.3 1 UNL1111111111 -0.2682 13 C -0.0983 -2.8189 0.6075 C.3 1 UNL1111111111 -0.2961 14 C 1.0668 -2.0861 0.0091 C.2 1 UNL1111111111 0.0378 15 C -3.1171 0.2822 -0.6377 C.3 1 UNL1111111111 -0.0544 16 C -3.6612 -0.5465 1.6608 C.3 1 UNL1111111111 -0.4684 17 C 2.5110 0.0058 0.0611 C.3 1 UNL1111111111 -0.2770 18 C -0.1634 0.2322 -1.2508 C.2 1 UNL1111111111 0.3393 19 C 3.7574 -0.5616 0.7629 C.3 1 UNL1111111111 -0.2622 20 C 1.8347 -2.6521 -0.9228 C.2 1 UNL1111111111 -0.3751 21 C 4.9848 0.0705 0.2370 C.ar 1 UNL1111111111 -0.0683 22 C -5.4969 0.1489 -0.7613 C.2 1 UNL1111111111 0.6293 23 C 5.3494 1.4615 0.3933 C.ar 1 UNL1111111111 -0.2483 24 C 5.9962 -0.5113 -0.4809 C.ar 1 UNL1111111111 -0.0603 25 C -6.7132 1.0106 -0.7163 C.3 1 UNL1111111111 -0.5144 26 C 6.5501 1.6166 -0.2407 C.ar 1 UNL1111111111 -0.0161 27 H -1.0301 -0.6828 1.9902 H 1 UNL1111111111 0.1498 28 H 1.3168 -0.7783 1.6790 H 1 UNL1111111111 0.1536 29 H 0.8776 2.1086 0.4032 H 1 UNL1111111111 0.1540 30 H 0.3424 1.4455 1.9602 H 1 UNL1111111111 0.1357 31 H -2.2421 -2.5496 0.8225 H 1 UNL1111111111 0.1513 32 H -1.6165 -2.0308 -0.7362 H 1 UNL1111111111 0.1438 33 H -3.3434 2.1744 1.2607 H 1 UNL1111111111 0.1484 34 H -2.2597 1.5191 2.4929 H 1 UNL1111111111 0.1368 35 H -1.4443 2.5466 -0.3063 H 1 UNL1111111111 0.1587 36 H -1.1189 3.3267 1.2370 H 1 UNL1111111111 0.1343 37 H 0.0557 -2.9580 1.6963 H 1 UNL1111111111 0.1476 38 H -0.1929 -3.8426 0.1948 H 1 UNL1111111111 0.1492 39 H -2.5165 0.9805 -1.2531 H 1 UNL1111111111 0.1559 40 H -3.1770 -0.7011 -1.1358 H 1 UNL1111111111 0.1472 41 H -4.5433 0.0854 1.8159 H 1 UNL1111111111 0.1489 42 H -3.2758 -0.8158 2.6484 H 1 UNL1111111111 0.1439 43 H -4.0154 -1.4650 1.1741 H 1 UNL1111111111 0.1633 44 H 2.6085 -0.0881 -1.0373 H 1 UNL1111111111 0.1546 45 H 2.4611 1.0973 0.2454 H 1 UNL1111111111 0.1529 46 H -0.3090 -0.7102 -1.7962 H 1 UNL1111111111 0.1171 47 H 3.6832 -0.3924 1.8589 H 1 UNL1111111111 0.1507 48 H 3.7922 -1.6648 0.6392 H 1 UNL1111111111 0.1538 49 H 2.6757 -2.1741 -1.3980 H 1 UNL1111111111 0.1554 50 H 1.6809 -3.6537 -1.2907 H 1 UNL1111111111 0.1474 51 H 4.7657 2.1929 0.9088 H 1 UNL1111111111 0.1700 52 H 6.2076 -1.4842 -0.8522 H 1 UNL1111111111 0.1709 53 H -7.3468 0.8295 -1.5992 H 1 UNL1111111111 0.1859 54 H -6.4724 2.0847 -0.6871 H 1 UNL1111111111 0.1853 55 H -7.3190 0.7769 0.1729 H 1 UNL1111111111 0.1826 56 H 7.2261 2.4202 -0.4135 H 1 UNL1111111111 0.1692 @BOND 1 1 15 1 2 1 22 1 3 2 18 2 4 3 24 ar 5 3 26 ar 6 4 22 2 7 5 6 1 8 5 8 1 9 5 9 1 10 5 18 1 11 6 7 1 12 6 10 1 13 6 27 1 14 7 11 1 15 7 15 1 16 7 16 1 17 8 14 1 18 8 17 1 19 8 28 1 20 9 12 1 21 9 29 1 22 9 30 1 23 10 13 1 24 10 31 1 25 10 32 1 26 11 12 1 27 11 33 1 28 11 34 1 29 12 35 1 30 12 36 1 31 13 14 1 32 13 37 1 33 13 38 1 34 14 20 2 35 15 39 1 36 15 40 1 37 16 41 1 38 16 42 1 39 16 43 1 40 17 19 1 41 17 44 1 42 17 45 1 43 18 46 1 44 19 21 1 45 19 47 1 46 19 48 1 47 20 49 1 48 20 50 1 49 21 23 ar 50 21 24 ar 51 22 25 1 52 23 26 ar 53 23 51 1 54 24 52 1 55 25 53 1 56 25 54 1 57 25 55 1 58 26 56 1