@MOLECULE diethyl [4-(1,3-benzothiazol-2-yl)benzyl]phosphonate 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.7983 -1.1376 0.4656 S.2 1 UNL1111111111 0.0892 2 P 4.3329 0.3619 0.0750 P.3 1 UNL1111111111 0.1923 3 O 3.8613 -0.4459 1.3712 O.3 1 UNL1111111111 -0.2540 4 O 3.9443 -0.5026 -1.2259 O.3 1 UNL1111111111 -0.3463 5 O 5.7542 0.6399 0.3022 O.2 1 UNL1111111111 -0.2669 6 N -3.4111 1.2083 -0.5506 N.ar 1 UNL1111111111 -0.3516 7 C 3.2154 1.7771 -0.3713 C.3 1 UNL1111111111 -0.2146 8 C 1.7447 1.4721 -0.3647 C.ar 1 UNL1111111111 0.0781 9 C -0.9798 0.8801 -0.2864 C.ar 1 UNL1111111111 -0.0644 10 C 0.9464 1.9661 0.6726 C.ar 1 UNL1111111111 -0.1932 11 C 1.1556 0.7278 -1.3957 C.ar 1 UNL1111111111 -0.1741 12 C -0.4127 1.6719 0.7140 C.ar 1 UNL1111111111 -0.0982 13 C -0.2004 0.4268 -1.3545 C.ar 1 UNL1111111111 -0.1073 14 C -2.3798 0.5030 -0.2035 C.ar 1 UNL1111111111 0.1263 15 C 2.5635 -1.0517 1.5524 C.3 1 UNL1111111111 -0.0173 16 C 4.5526 -1.7537 -1.5795 C.3 1 UNL1111111111 0.0260 17 C -4.4969 -0.7714 0.2210 C.ar 1 UNL1111111111 -0.1665 18 C -4.6254 0.5281 -0.3296 C.ar 1 UNL1111111111 0.0999 19 C 2.0303 -0.4673 2.8588 C.3 1 UNL1111111111 -0.4714 20 C 3.5122 -2.8524 -1.3618 C.3 1 UNL1111111111 -0.4797 21 C -5.6210 -1.5429 0.4833 C.ar 1 UNL1111111111 -0.1268 22 C -5.8850 1.0597 -0.6179 C.ar 1 UNL1111111111 -0.1255 23 C -6.8721 -1.0070 0.1926 C.ar 1 UNL1111111111 -0.1444 24 C -7.0021 0.2788 -0.3509 C.ar 1 UNL1111111111 -0.1437 25 H 3.5330 2.1359 -1.3994 H 1 UNL1111111111 0.2009 26 H 3.4616 2.6220 0.3424 H 1 UNL1111111111 0.1946 27 H 1.3877 2.5781 1.4584 H 1 UNL1111111111 0.1593 28 H 1.7624 0.3642 -2.2274 H 1 UNL1111111111 0.1719 29 H -1.0341 2.0557 1.5231 H 1 UNL1111111111 0.1596 30 H -0.6547 -0.1602 -2.1524 H 1 UNL1111111111 0.1601 31 H 1.8353 -0.9414 0.7285 H 1 UNL1111111111 0.1324 32 H 2.8092 -2.1304 1.6615 H 1 UNL1111111111 0.1230 33 H 4.7523 -1.5892 -2.6624 H 1 UNL1111111111 0.1242 34 H 5.5103 -1.9923 -1.0798 H 1 UNL1111111111 0.1330 35 H 1.2258 -1.0877 3.2667 H 1 UNL1111111111 0.1498 36 H 2.8284 -0.4058 3.6119 H 1 UNL1111111111 0.1613 37 H 1.6389 0.5469 2.7207 H 1 UNL1111111111 0.1524 38 H 3.7389 -3.7328 -1.9713 H 1 UNL1111111111 0.1462 39 H 3.4706 -3.1725 -0.3146 H 1 UNL1111111111 0.1512 40 H 2.5086 -2.5019 -1.6369 H 1 UNL1111111111 0.1571 41 H -5.5353 -2.5426 0.9060 H 1 UNL1111111111 0.1632 42 H -5.9690 2.0608 -1.0399 H 1 UNL1111111111 0.1771 43 H -7.7683 -1.5947 0.3901 H 1 UNL1111111111 0.1576 44 H -7.9969 0.6689 -0.5654 H 1 UNL1111111111 0.1591 @BOND 1 1 14 ar 2 1 17 ar 3 2 3 1 4 2 4 1 5 2 5 2 6 2 7 1 7 3 15 1 8 4 16 1 9 6 14 ar 10 6 18 ar 11 7 8 1 12 7 25 1 13 7 26 1 14 8 10 ar 15 8 11 ar 16 9 12 ar 17 9 13 ar 18 9 14 1 19 10 12 ar 20 10 27 1 21 11 13 ar 22 11 28 1 23 12 29 1 24 13 30 1 25 15 19 1 26 15 31 1 27 15 32 1 28 16 20 1 29 16 33 1 30 16 34 1 31 17 18 ar 32 17 21 ar 33 18 22 ar 34 19 35 1 35 19 36 1 36 19 37 1 37 20 38 1 38 20 39 1 39 20 40 1 40 21 23 ar 41 21 41 1 42 22 24 ar 43 22 42 1 44 23 24 ar 45 23 43 1 46 24 44 1