@<TRIPOS>MOLECULE
DB07066
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.9410     1.7525    -1.3181	Cl	1	noname	-0.0506
2	C1     2.3890     1.3231    -0.8150	C.2	1	noname	0.0692
3	S1     1.8744    -0.1780    -0.0193	S.3	1	noname	-0.1608
4	C2     1.1972     2.0757    -0.9297	C.2	1	noname	0.0198
5	C3     0.1663     0.1978     0.1156	C.2	1	noname	0.0538
6	C4     0.0302     1.4524    -0.4279	C.2	1	noname	-0.0046
7	N1    -0.9802    -0.3491     0.5019	N.3	1	noname	-0.0017
8	C5    -1.3217     1.7644    -0.3703	C.2	1	noname	0.0009
9	C6    -1.8851     0.5985     0.1869	C.2	1	noname	-0.0896
10	C7    -3.3070     0.3402     0.3790	C.2	1	noname	0.0089
11	O1    -4.1624     0.3928    -0.5310	O.2	1	noname	-0.2903
12	N2    -3.6071     0.0087     1.7860	N.3	1	noname	-0.0645
13	C8    -5.0738    -0.0586     1.9525	C.3	1	noname	0.0925
14	C9    -5.7450     1.3346     2.1715	C.2	1	noname	0.1383
15	C10    -5.5129    -1.0635     3.0602	C.3	1	noname	-0.0019
16	O2    -5.1315     2.4236     2.1802	O.2	1	noname	-0.2696
17	N3    -7.1582     1.1967     2.3611	N.3	1	noname	-0.1346
18	C11    -6.9633    -0.9905     3.4157	C.2	1	noname	-0.0288
19	C12    -7.7456     0.1575     3.0319	C.2	1	noname	-0.0170
20	C13    -7.5501    -2.0426     4.1707	C.2	1	noname	-0.0490
21	C14    -9.1324     0.2437     3.3517	C.2	1	noname	-0.0349
22	C15    -8.9310    -1.9401     4.5242	C.2	1	noname	-0.0607
23	C16    -9.7161    -0.8141     4.1097	C.2	1	noname	-0.0539
24	H1     1.1792     3.0703    -1.3753	H	1	noname	0.0654
25	H2    -1.1265    -1.2538     0.9265	H	1	noname	0.1537
26	H3    -1.8134     2.6861    -0.6817	H	1	noname	0.0651
27	H4    -2.9233    -0.1461     2.5131	H	1	noname	0.1322
28	H5    -5.3734    -0.4417     0.9770	H	1	noname	0.0570
29	H6    -5.3752    -2.0621     2.6456	H	1	noname	0.0337
30	H7    -4.9859    -0.7733     3.9691	H	1	noname	0.0337
31	H8    -7.7930     1.8897     1.9912	H	1	noname	0.1371
32	H9    -6.9563    -2.9059     4.4709	H	1	noname	0.0626
33	H10    -9.7301     1.0949     3.0255	H	1	noname	0.0639
34	H11    -9.3911    -2.7305     5.1173	H	1	noname	0.0622
35	H12   -10.7721    -0.7614     4.3748	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	2
8	6	8	1
9	7	9	1
10	8	9	2
11	9	10	1
12	10	11	2
13	10	12	1
14	13	12	1
15	13	14	1
16	13	15	1
17	14	16	2
18	14	17	1
19	15	18	1
20	17	19	1
21	18	20	1
22	18	19	2
23	19	21	1
24	20	22	2
25	21	23	2
26	22	23	1
27	4	24	1
28	7	25	1
29	8	26	1
30	12	27	1
31	13	28	1
32	15	29	1
33	15	30	1
34	17	31	1
35	20	32	1
36	21	33	1
37	22	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1