@MOLECULE 2-benzothiazolinone, n-methyl- 18 19 0 0 0 SMALL USER_CHARGES @ATOM 1 S1 0.8789 -1.6927 0.0001 S.2 1 UNCH1111 0.0919 2 O1 3.0412 -0.0291 -0.0019 O.2 1 UNCH1111 -0.4363 3 N1 0.9518 0.9330 0.0018 N.ar 1 UNCH1111 -0.4499 4 C1 -1.9279 -1.3066 0.0007 C.ar 1 UNCH1111 -0.0716 5 C2 -2.9977 -0.4110 -0.0009 C.ar 1 UNCH1111 -0.1996 6 C3 -2.7721 0.9674 -0.0017 C.ar 1 UNCH1111 -0.0834 7 C4 -1.4802 1.4875 -0.0000 C.ar 1 UNCH1111 -0.2330 8 C5 -0.4080 0.5923 0.0013 C.ar 1 UNCH1111 0.1956 9 C6 -0.6382 -0.8026 0.0012 C.ar 1 UNCH1111 -0.2168 10 C7 1.8482 -0.1399 -0.0007 C.ar 1 UNCH1111 0.5011 11 C8 1.4098 2.3185 0.0005 C.3 1 UNCH1111 -0.2227 12 H1 -2.1151 -2.3812 0.0012 H 1 UNCH1111 0.1634 13 H2 -4.0176 -0.7898 -0.0018 H 1 UNCH1111 0.1592 14 H3 -3.6224 1.6507 -0.0032 H 1 UNCH1111 0.1544 15 H4 -1.3156 2.5603 -0.0001 H 1 UNCH1111 0.1666 16 H11 1.0558 2.8497 -0.9015 H 1 UNCH1111 0.1509 17 H22 1.0495 2.8519 0.8983 H 1 UNCH1111 0.1509 18 H33 2.5188 2.3532 0.0042 H 1 UNCH1111 0.1794 @BOND 1 1 9 ar 2 1 10 ar 3 2 10 2 4 3 8 ar 5 3 10 ar 6 3 11 1 7 4 5 ar 8 4 9 ar 9 4 12 1 10 5 6 ar 11 5 13 1 12 6 7 ar 13 6 14 1 14 7 8 ar 15 7 15 1 16 8 9 ar 17 11 16 1 18 11 17 1 19 11 18 1