@MOLECULE benzo(a)pyrene-7,8,9,10-tetraol 36 40 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.8503 2.6707 -0.0044 O.3 1 UNL1111111111 -0.4505 2 O 3.2797 -2.6381 0.0102 O.3 1 UNL1111111111 -0.4822 3 O 4.4357 1.9681 0.0024 O.3 1 UNL1111111111 -0.4684 4 O 5.1826 -0.6798 -0.0110 O.3 1 UNL1111111111 -0.4621 5 C -1.2479 -0.2772 -0.0026 C.ar 1 UNL1111111111 -0.0329 6 C -0.2826 0.7433 -0.0031 C.ar 1 UNL1111111111 0.0424 7 C -2.6480 0.0320 0.0002 C.ar 1 UNL1111111111 -0.0122 8 C -0.8523 -1.6535 -0.0095 C.ar 1 UNL1111111111 0.0304 9 C 1.1101 0.4003 -0.0007 C.ar 1 UNL1111111111 -0.0481 10 C 1.4774 -0.9712 0.0035 C.ar 1 UNL1111111111 -0.0361 11 C -3.0716 1.3767 0.0055 C.ar 1 UNL1111111111 -0.0087 12 C -3.6236 -1.0002 -0.0027 C.ar 1 UNL1111111111 -0.0159 13 C 0.4820 -1.9792 -0.0091 C.ar 1 UNL1111111111 -0.1813 14 C -0.7506 2.1007 -0.0015 C.ar 1 UNL1111111111 -0.1313 15 C -1.8690 -2.6860 -0.0186 C.ar 1 UNL1111111111 -0.1661 16 C -2.0766 2.4051 0.0035 C.ar 1 UNL1111111111 -0.1610 17 C -3.1826 -2.3785 -0.0139 C.ar 1 UNL1111111111 -0.1330 18 C 2.1712 1.3537 -0.0049 C.ar 1 UNL1111111111 0.2002 19 C 2.8487 -1.3417 0.0150 C.ar 1 UNL1111111111 0.0928 20 C -4.4466 1.6792 0.0115 C.ar 1 UNL1111111111 -0.1470 21 C -4.9752 -0.6774 0.0032 C.ar 1 UNL1111111111 -0.1507 22 C 3.5058 0.9715 -0.0055 C.ar 1 UNL1111111111 0.0696 23 C 3.8549 -0.3953 0.0026 C.ar 1 UNL1111111111 0.1398 24 C -5.3839 0.6625 0.0109 C.ar 1 UNL1111111111 -0.1464 25 H 0.7836 -3.0259 -0.0313 H 1 UNL1111111111 0.1480 26 H -0.0308 2.9224 -0.0038 H 1 UNL1111111111 0.1886 27 H -1.5292 -3.7210 -0.0296 H 1 UNL1111111111 0.1561 28 H -2.4115 3.4421 0.0057 H 1 UNL1111111111 0.1578 29 H -3.9506 -3.1515 -0.0193 H 1 UNL1111111111 0.1557 30 H -4.7636 2.7207 0.0163 H 1 UNL1111111111 0.1552 31 H -5.7257 -1.4661 0.0014 H 1 UNL1111111111 0.1543 32 H -6.4474 0.8968 0.0158 H 1 UNL1111111111 0.1526 33 H 2.6692 3.2380 -0.0332 H 1 UNL1111111111 0.3456 34 H 2.5688 -3.2567 0.3128 H 1 UNL1111111111 0.3363 35 H 5.3505 1.5824 -0.0593 H 1 UNL1111111111 0.3541 36 H 5.3219 -1.6643 0.0631 H 1 UNL1111111111 0.3544 @BOND 1 1 18 1 2 1 33 1 3 2 19 1 4 2 34 1 5 3 22 1 6 3 35 1 7 4 23 1 8 4 36 1 9 5 6 ar 10 5 7 ar 11 5 8 ar 12 6 9 ar 13 6 14 ar 14 7 11 ar 15 7 12 ar 16 8 13 ar 17 8 15 ar 18 9 10 ar 19 9 18 ar 20 10 13 ar 21 10 19 ar 22 11 16 ar 23 11 20 ar 24 12 17 ar 25 12 21 ar 26 13 25 1 27 14 16 ar 28 14 26 1 29 15 17 ar 30 15 27 1 31 16 28 1 32 17 29 1 33 18 22 ar 34 19 23 ar 35 20 24 ar 36 20 30 1 37 21 24 ar 38 21 31 1 39 22 23 ar 40 24 32 1