@<TRIPOS>MOLECULE
DB00833
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.0480     3.1881    -2.4926	Cl	1	noname	-0.0701
2	C1    -0.9663     2.4366    -1.0180	C.2	1	noname	0.0540
3	C2     0.1543     1.7316    -0.7791	C.2	1	noname	0.0560
4	C3    -2.1216     2.6237    -0.1407	C.3	1	noname	0.0327
5	N1     0.3430     1.0567     0.3571	N.3	1	noname	0.0663
6	C4     1.1285     1.7056    -1.7277	C.2	1	noname	0.1080
7	S1    -1.9574     1.7470     1.4797	S.3	1	noname	-0.1339
8	C5     1.4597     0.9984     1.2196	C.2	1	noname	0.0872
9	C6    -0.6299     0.4970     1.2011	C.3	1	noname	0.0925
10	O1     1.8697     0.7048    -1.8352	O.2	1	noname	-0.2514
11	O2     1.2951     2.7606    -2.5533	O.3	1	noname	-0.2132
12	O3     2.6520     1.3732     1.1992	O.2	1	noname	-0.2822
13	C7     0.5250     0.2572     2.1992	C.3	1	noname	0.1141
14	N2     0.4748     0.8988     3.5086	N.3	1	noname	-0.0635
15	C8    -0.2913     0.3820     4.4790	C.2	1	noname	0.0519
16	O4    -0.9630    -0.6497     4.2623	O.2	1	noname	-0.2885
17	C9    -0.3416     1.0240     5.7893	C.3	1	noname	0.1045
18	N3     0.9989     1.0472     6.3723	N.3	1	noname	-0.3166
19	C10    -1.2397     0.2755     6.6638	C.2	1	noname	-0.0438
20	C11    -2.3583     0.8967     7.2069	C.2	1	noname	-0.0499
21	C12    -0.9763    -1.0582     6.9532	C.2	1	noname	-0.0499
22	C13    -3.2134     0.1842     8.0395	C.2	1	noname	-0.0586
23	C14    -1.8313    -1.7708     7.7858	C.2	1	noname	-0.0586
24	C15    -2.9499    -1.1496     8.3289	C.2	1	noname	-0.0611
25	H1    -2.1030     3.7025     0.0135	H	1	noname	0.0440
26	H2    -2.9174     2.1713    -0.7325	H	1	noname	0.0440
27	H3    -1.1106    -0.4460     0.9410	H	1	noname	0.0615
28	H4     1.4209     3.5575    -2.0329	H	1	noname	0.2217
29	H5     0.6911    -0.7388     2.6095	H	1	noname	0.0592
30	H6     0.9901     1.7325     3.7527	H	1	noname	0.1319
31	H7    -0.7092     2.0442     5.6794	H	1	noname	0.0611
32	H8     1.4771     0.1807     6.5737	H	1	noname	0.1194
33	H9     1.4468     1.9298     6.5737	H	1	noname	0.1194
34	H10    -2.5649     1.9426     6.9800	H	1	noname	0.0626
35	H11    -0.0991    -1.5454     6.5273	H	1	noname	0.0626
36	H12    -4.0905     0.6713     8.4654	H	1	noname	0.0622
37	H13    -1.6247    -2.8167     8.0127	H	1	noname	0.0622
38	H14    -3.6204    -1.7084     8.9818	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	6	10	2
10	6	11	1
11	9	7	1
12	8	12	2
13	8	13	1
14	9	13	1
15	13	14	1
16	14	15	1
17	15	16	2
18	15	17	1
19	17	18	1
20	17	19	1
21	19	20	2
22	19	21	1
23	20	22	1
24	21	23	2
25	22	24	2
26	23	24	1
27	4	25	1
28	4	26	1
29	9	27	1
30	11	28	1
31	13	29	1
32	14	30	1
33	17	31	1
34	18	32	1
35	18	33	1
36	20	34	1
37	21	35	1
38	22	36	1
39	23	37	1
40	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1