@<TRIPOS>MOLECULE
DB01559
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.7639    -2.3948    -0.8781	Cl	1	noname	-0.0770
2	C1    -3.0891    -0.8017    -0.4285	C.2	1	noname	0.0101
3	C2    -2.0590     0.0192     0.0156	C.2	1	noname	0.0016
4	C3    -4.3871    -0.3099    -0.5021	C.2	1	noname	-0.0211
5	C4    -0.7890    -0.4619     0.0876	C.2	1	noname	0.0187
6	C5    -2.3269     1.3319     0.3861	C.2	1	noname	-0.0273
7	C6    -4.6550     1.0028    -0.1316	C.2	1	noname	-0.0452
8	N1    -0.6897    -1.7244     0.3225	N.2	1	noname	-0.2503
9	C7     0.2093     0.4728    -0.1017	C.2	1	noname	0.0221
10	C8    -3.6249     1.8236     0.3125	C.2	1	noname	-0.0516
11	C9     0.4143    -2.5906     0.4411	C.3	1	noname	0.1139
12	C10     1.5786     0.2015    -0.3235	C.2	1	noname	0.0576
13	C11    -0.1653     1.8358    -0.0121	C.2	1	noname	-0.0066
14	C12     1.8793    -2.0946     0.4036	C.2	1	noname	0.1476
15	S1     2.3076     1.8051    -0.2885	S.3	1	noname	-0.2044
16	N2     2.1938    -1.0046    -0.4618	N.3	1	noname	-0.1058
17	C13     0.8615     2.7823    -0.0914	C.2	1	noname	0.0211
18	O1     2.7599    -2.6320     1.1095	O.2	1	noname	-0.2661
19	C14     3.1573    -1.1798    -1.4762	C.3	1	noname	0.0002
20	C15     0.7562     4.2371    -0.0258	C.3	1	noname	0.0298
21	C16     1.5725     4.7545     1.1603	C.3	1	noname	-0.0605
22	H1    -5.1949    -0.9536    -0.8503	H	1	noname	0.0638
23	H2    -1.5192     1.9756     0.7343	H	1	noname	0.0630
24	H3    -5.6729     1.3884    -0.1893	H	1	noname	0.0623
25	H4    -3.8351     2.8530     0.6030	H	1	noname	0.0622
26	H5     0.2620    -3.0032     1.4384	H	1	noname	0.0612
27	H6     0.2892    -3.2252    -0.4363	H	1	noname	0.0612
28	H7    -1.2032     2.1444     0.1129	H	1	noname	0.0641
29	H8     3.3176    -2.2446    -1.6451	H	1	noname	0.0403
30	H9     2.8042    -0.7151    -2.3968	H	1	noname	0.0403
31	H10     4.0949    -0.7151    -1.1711	H	1	noname	0.0403
32	H11     1.2236     4.6128    -0.9360	H	1	noname	0.0321
33	H12    -0.2927     4.4528     0.1773	H	1	noname	0.0321
34	H13     1.9634     3.9103     1.7283	H	1	noname	0.0234
35	H14     2.4010     5.3610     0.7943	H	1	noname	0.0234
36	H15     0.9347     5.3610     1.8034	H	1	noname	0.0234
@<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	5	9	1
9	6	10	2
10	7	10	1
11	8	11	1
12	9	12	2
13	9	13	1
14	11	14	1
15	12	15	1
16	12	16	1
17	13	17	2
18	14	18	2
19	14	16	1
20	15	17	1
21	16	19	1
22	17	20	1
23	20	21	1
24	4	22	1
25	6	23	1
26	7	24	1
27	10	25	1
28	11	26	1
29	11	27	1
30	13	28	1
31	19	29	1
32	19	30	1
33	19	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1