@<TRIPOS>MOLECULE
DB01007
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.2106    -3.3053     0.1625	Cl	1	noname	-0.0782
2	C1     0.5500    -1.7967    -0.2029	C.2	1	noname	0.0103
3	C2     1.2198    -0.5940     0.2313	C.2	1	noname	-0.0052
4	C3    -0.6639    -1.7143    -0.9372	C.2	1	noname	0.0089
5	C4     0.6735     0.7069    -0.0691	C.2	1	noname	-0.0279
6	C5     2.5356    -0.8112     0.9171	C.3	1	noname	0.1005
7	C6    -1.2029    -0.4158    -1.1872	C.2	1	noname	-0.0019
8	C7    -0.5666     0.7952    -0.7663	C.2	1	noname	-0.0213
9	O1     3.6637    -0.8388     0.0242	O.3	1	noname	-0.3669
10	C8     2.9196     0.2476     1.9865	C.3	1	noname	-0.0374
11	Cl2    -2.6649    -0.3034    -2.0214	Cl	1	noname	-0.0826
12	C9     3.5611    -1.9259    -0.8743	C.3	1	noname	0.0749
13	N1     3.8125    -0.0777     3.0418	N.3	1	noname	-0.0438
14	C10     4.5617    -2.1210    -1.9028	C.2	1	noname	0.0187
15	C11     4.2088     0.8849     3.8775	C.2	1	noname	-0.0483
16	C12     4.3578    -1.2494     3.4140	C.2	1	noname	-0.0710
17	C13     4.2888    -1.7491    -3.2252	C.2	1	noname	0.0646
18	C14     5.6363    -2.9794    -1.5983	C.2	1	noname	-0.0062
19	N2     5.0093     0.3322     4.7956	N.2	1	noname	-0.2421
20	C15     5.1214    -0.9776     4.5402	C.2	1	noname	0.0082
21	Cl3     3.2232    -0.6155    -3.8776	Cl	1	noname	-0.0498
22	S1     5.4256    -2.8561    -3.9779	S.3	1	noname	-0.1951
23	C16     6.3115    -3.6117    -2.6558	C.2	1	noname	0.0181
24	H1    -1.1634    -2.6144    -1.2957	H	1	noname	0.0653
25	H2     1.1943     1.6169     0.2288	H	1	noname	0.0627
26	H3     2.3787    -1.8100     1.3245	H	1	noname	0.0672
27	H4    -1.0176     1.7658    -0.9728	H	1	noname	0.0638
28	H5     3.4610     1.0329     1.4589	H	1	noname	0.0503
29	H6     2.0020     0.4854     2.5247	H	1	noname	0.0503
30	H7     3.6425    -2.8036    -0.2330	H	1	noname	0.0619
31	H8     2.6356    -1.7308    -1.4160	H	1	noname	0.0619
32	H9     3.9283     1.9366     3.8203	H	1	noname	0.1015
33	H10     4.2129    -2.2070     2.9139	H	1	noname	0.0808
34	H11     5.9391    -3.1509    -0.5653	H	1	noname	0.0635
35	H12     5.7130    -1.6790     5.1286	H	1	noname	0.0853
36	H13     7.1197    -4.3303    -2.5189	H	1	noname	0.0739
@<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	2
7	5	8	2
8	6	9	1
9	6	10	1
10	7	11	1
11	7	8	1
12	9	12	1
13	10	13	1
14	12	14	1
15	13	15	1
16	13	16	1
17	14	17	2
18	14	18	1
19	15	19	2
20	16	20	2
21	17	21	1
22	17	22	1
23	18	23	2
24	19	20	1
25	22	23	1
26	4	24	1
27	5	25	1
28	6	26	1
29	8	27	1
30	10	28	1
31	10	29	1
32	12	30	1
33	12	31	1
34	15	32	1
35	16	33	1
36	18	34	1
37	20	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1