@MOLECULE 2-[(1-naphthylmethyl)sulfanyl]-4(1h)-quinazolinone 37 40 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.2459 0.6780 -0.3692 S.3 1 UNL1 0.0916 2 O 3.3291 -2.0197 1.7506 O.2 1 UNL1 -0.4232 3 N 2.4059 1.0319 -0.7272 N.ar 1 UNL1 -0.5027 4 N 1.7542 -0.7301 0.7369 N.ar 1 UNL1 -0.5895 5 C -2.4508 -0.7714 0.0396 C.ar 1 UNL1 -0.0191 6 C -3.5965 0.0521 0.2663 C.ar 1 UNL1 -0.0145 7 C -4.7990 -0.2544 -0.4113 C.ar 1 UNL1 -0.0108 8 C -1.1577 -0.4929 0.7176 C.3 1 UNL1 -0.3201 9 C -2.5333 -1.8446 -0.8183 C.ar 1 UNL1 -0.1408 10 C -3.5812 1.1699 1.1467 C.ar 1 UNL1 -0.1562 11 C -4.8508 -1.3680 -1.2939 C.ar 1 UNL1 -0.1538 12 C 3.7669 0.7450 -0.5378 C.ar 1 UNL1 0.2389 13 C 4.1379 -0.3092 0.3162 C.ar 1 UNL1 -0.2699 14 C -5.9511 0.5553 -0.2050 C.ar 1 UNL1 -0.1538 15 C -3.7404 -2.1459 -1.4906 C.ar 1 UNL1 -0.1486 16 C 1.4642 0.2520 -0.0614 C.ar 1 UNL1 0.3486 17 C -4.7027 1.9367 1.3303 C.ar 1 UNL1 -0.1465 18 C -5.9038 1.6283 0.6456 C.ar 1 UNL1 -0.1451 19 C 4.7480 1.5060 -1.1979 C.ar 1 UNL1 -0.2767 20 C 3.0949 -1.1034 1.0033 C.ar 1 UNL1 0.5897 21 C 5.4918 -0.5979 0.5067 C.ar 1 UNL1 -0.0164 22 C 6.0849 1.2000 -0.9926 C.ar 1 UNL1 -0.0428 23 C 6.4617 0.1519 -0.1437 C.ar 1 UNL1 -0.2252 24 H -1.2704 -0.0598 1.7313 H 1 UNL1 0.1805 25 H -0.5580 -1.4230 0.8845 H 1 UNL1 0.2179 26 H -1.6654 -2.4822 -0.9964 H 1 UNL1 0.1656 27 H -2.6641 1.4164 1.6810 H 1 UNL1 0.1591 28 H -5.7864 -1.5880 -1.8054 H 1 UNL1 0.1552 29 H -6.8675 0.3039 -0.7367 H 1 UNL1 0.1548 30 H -3.7692 -3.0025 -2.1624 H 1 UNL1 0.1553 31 H 2.1438 1.7921 -1.3438 H 1 UNL1 0.3330 32 H -4.6875 2.7922 2.0038 H 1 UNL1 0.1529 33 H -6.7798 2.2533 0.8087 H 1 UNL1 0.1533 34 H 4.4635 2.3201 -1.8578 H 1 UNL1 0.1640 35 H 5.7681 -1.4216 1.1744 H 1 UNL1 0.1781 36 H 6.8559 1.7835 -1.4994 H 1 UNL1 0.1531 37 H 7.5164 -0.0716 0.0033 H 1 UNL1 0.1642 @BOND 1 30 15 1 2 34 19 1 3 28 11 1 4 36 22 1 5 15 11 ar 6 15 9 ar 7 31 3 1 8 11 7 ar 9 19 22 ar 10 19 12 ar 11 26 9 1 12 22 23 ar 13 9 5 ar 14 29 14 1 15 3 12 ar 16 3 16 ar 17 12 13 ar 18 7 14 ar 19 7 6 ar 20 1 16 1 21 1 8 1 22 14 18 ar 23 23 37 1 24 23 21 ar 25 16 4 ar 26 5 6 ar 27 5 8 1 28 6 10 ar 29 13 21 ar 30 13 20 ar 31 21 35 1 32 18 33 1 33 18 17 ar 34 8 25 1 35 8 24 1 36 4 20 ar 37 20 2 2 38 10 17 ar 39 10 27 1 40 17 32 1