@MOLECULE 2-chloro-1,4-dihydroxy-3-(4-methyl-pent-3-enyl)-anthraquinone 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.4643 2.1501 0.1164 Cl 1 UNL1111111 -0.0181 2 O -0.3511 -2.4744 0.2191 O.3 1 UNL1111111 -0.3941 3 O 0.2237 2.9487 -0.0366 O.3 1 UNL1111111 -0.4401 4 O 2.1063 -2.7607 0.0255 O.2 1 UNL1111111 -0.3832 5 O 2.7885 2.5460 -0.0834 O.2 1 UNL1111111 -0.4991 6 C 1.0707 -0.6342 0.0693 C.ar 1 UNL1111111 -0.1557 7 C -1.3588 -0.2778 0.2701 C.ar 1 UNL1111111 -0.0610 8 C 1.2639 0.7653 0.0169 C.ar 1 UNL1111111 -0.2612 9 C -2.7114 -0.8559 0.5299 C.3 1 UNL1111111 -0.2779 10 C -0.2209 -1.1333 0.1846 C.ar 1 UNL1111111 0.2477 11 C 3.5870 -0.9584 -0.0152 C.ar 1 UNL1111111 -0.0950 12 C 0.1542 1.6132 0.0353 C.ar 1 UNL1111111 0.3038 13 C 2.2246 -1.5574 0.0252 C.2 1 UNL1111111 0.4531 14 C 3.7737 0.4248 -0.0498 C.ar 1 UNL1111111 -0.1201 15 C -1.1539 1.0743 0.1420 C.ar 1 UNL1111111 -0.0628 16 C -3.5082 -1.0766 -0.7670 C.3 1 UNL1111111 -0.2495 17 C 2.6144 1.3371 -0.0493 C.2 1 UNL1111111 0.5050 18 C -4.8929 -1.5253 -0.4233 C.2 1 UNL1111111 -0.2594 19 C 4.6899 -1.8095 -0.0271 C.ar 1 UNL1111111 -0.1105 20 C 5.0627 0.9569 -0.0919 C.ar 1 UNL1111111 -0.0866 21 C -5.9101 -0.6945 -0.1551 C.2 1 UNL1111111 0.0792 22 C 5.9792 -1.2774 -0.0704 C.ar 1 UNL1111111 -0.1257 23 C 6.1654 0.1025 -0.1041 C.ar 1 UNL1111111 -0.1500 24 C -7.2661 -1.2182 0.1926 C.3 1 UNL1111111 -0.4635 25 C -5.7863 0.7919 -0.1639 C.3 1 UNL1111111 -0.4592 26 H -3.3002 -0.1943 1.2090 H 1 UNL1111111 0.1756 27 H -2.6437 -1.8095 1.0950 H 1 UNL1111111 0.1492 28 H -3.0034 -1.8192 -1.4154 H 1 UNL1111111 0.1416 29 H -3.5318 -0.1449 -1.3694 H 1 UNL1111111 0.1569 30 H -5.0262 -2.6036 -0.3908 H 1 UNL1111111 0.1467 31 H 4.5377 -2.8927 -0.0052 H 1 UNL1111111 0.1781 32 H 5.2001 2.0414 -0.1217 H 1 UNL1111111 0.1758 33 H 6.8395 -1.9451 -0.0804 H 1 UNL1111111 0.1552 34 H 7.1713 0.5186 -0.1379 H 1 UNL1111111 0.1560 35 H -1.3041 -2.7651 0.2053 H 1 UNL1111111 0.3211 36 H 1.1972 3.2579 -0.0540 H 1 UNL1111111 0.3803 37 H -7.3208 -2.3144 0.1675 H 1 UNL1111111 0.1523 38 H -7.5661 -0.9021 1.2021 H 1 UNL1111111 0.1585 39 H -8.0264 -0.8446 -0.5084 H 1 UNL1111111 0.1586 40 H -5.2193 1.1534 -1.0353 H 1 UNL1111111 0.1627 41 H -5.2544 1.1510 0.7333 H 1 UNL1111111 0.1631 42 H -6.7560 1.2999 -0.1860 H 1 UNL1111111 0.1517 @BOND 1 1 15 1 2 2 10 1 3 2 35 1 4 3 12 1 5 3 36 1 6 4 13 2 7 5 17 2 8 6 8 ar 9 6 10 ar 10 6 13 1 11 7 9 1 12 7 10 ar 13 7 15 ar 14 8 12 ar 15 8 17 1 16 9 16 1 17 9 26 1 18 9 27 1 19 11 13 1 20 11 14 ar 21 11 19 ar 22 12 15 ar 23 14 17 1 24 14 20 ar 25 16 18 1 26 16 28 1 27 16 29 1 28 18 21 2 29 18 30 1 30 19 22 ar 31 19 31 1 32 20 23 ar 33 20 32 1 34 21 24 1 35 21 25 1 36 22 23 ar 37 22 33 1 38 23 34 1 39 24 37 1 40 24 38 1 41 24 39 1 42 25 40 1 43 25 41 1 44 25 42 1