@MOLECULE (4s)-4-(3-hydroxyphenyl)-2-thioxo-2,3,4,6,7,8-hexahydro-5(1h)-quinazolinone 33 35 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.7722 0.0905 -0.3003 O.3 1 UNL1111111111 -0.4738 2 C 3.5369 0.5517 0.0243 C.ar 1 UNL1111111111 0.2974 3 C 2.3954 0.1698 -0.6794 C.ar 1 UNL1111111111 -0.3056 4 C 3.4901 1.4377 1.1070 C.ar 1 UNL1111111111 -0.2448 5 C 2.2516 1.9353 1.4903 C.ar 1 UNL1111111111 -0.0749 6 C 1.0902 1.5589 0.8109 C.ar 1 UNL1111111111 -0.2294 7 C 1.1658 0.6835 -0.2701 C.ar 1 UNL1111111111 0.0152 8 C -0.0759 0.2207 -1.0151 C.3 1 UNL1111111111 0.1084 9 C -0.6317 -0.9854 -0.3195 C.2 1 UNL1111111111 -0.3622 10 C 0.0912 -2.2463 -0.5003 C.2 1 UNL1111111111 0.5193 11 O 0.9899 -2.3651 -1.3006 O.2 1 UNL1111111111 -0.4816 12 C -0.3316 -3.4083 0.3691 C.3 1 UNL1111111111 -0.3793 13 C -1.8370 -3.3896 0.6269 C.3 1 UNL1111111111 -0.2394 14 C -2.2698 -2.0563 1.2526 C.3 1 UNL1111111111 -0.3122 15 C -1.7505 -0.9073 0.4431 C.2 1 UNL1111111111 0.2951 16 N -2.4751 0.2801 0.5157 N.am 1 UNL1111111111 -0.5045 17 C -2.1700 1.3800 -0.2942 C.2 1 UNL1111111111 0.4705 18 S -3.1934 2.7112 -0.2703 S.2 1 UNL1111111111 -0.4811 19 N -1.0780 1.3064 -1.0932 N.am 1 UNL1111111111 -0.4956 20 H 4.7382 -0.5738 -1.0323 H 1 UNL1111111111 0.3319 21 H 2.4584 -0.5320 -1.5099 H 1 UNL1111111111 0.1857 22 H 4.4057 1.7150 1.6217 H 1 UNL1111111111 0.1750 23 H 2.1820 2.6256 2.3314 H 1 UNL1111111111 0.1531 24 H 0.1318 1.9544 1.1386 H 1 UNL1111111111 0.1622 25 H 0.1941 -0.0495 -2.0823 H 1 UNL1111111111 0.1820 26 H -0.8104 2.1182 -1.6517 H 1 UNL1111111111 0.3483 27 H -0.0257 -4.3641 -0.1056 H 1 UNL1111111111 0.1772 28 H 0.2380 -3.3618 1.3213 H 1 UNL1111111111 0.1748 29 H -2.3864 -3.5576 -0.3221 H 1 UNL1111111111 0.1529 30 H -2.1225 -4.2301 1.2892 H 1 UNL1111111111 0.1488 31 H -3.3747 -2.0312 1.3521 H 1 UNL1111111111 0.1632 32 H -1.8723 -1.9768 2.2910 H 1 UNL1111111111 0.1769 33 H -3.3128 0.3328 1.0974 H 1 UNL1111111111 0.3465 @BOND 1 1 2 1 2 1 20 1 3 2 3 ar 4 2 4 ar 5 3 7 ar 6 3 21 1 7 4 5 ar 8 4 22 1 9 5 6 ar 10 5 23 1 11 6 7 ar 12 6 24 1 13 7 8 1 14 8 9 1 15 8 19 1 16 8 25 1 17 9 10 1 18 9 15 2 19 10 11 2 20 10 12 1 21 12 13 1 22 12 27 1 23 12 28 1 24 13 14 1 25 13 29 1 26 13 30 1 27 14 15 1 28 14 31 1 29 14 32 1 30 15 16 1 31 16 17 1 32 16 33 1 33 17 18 2 34 17 19 1 35 19 26 1