@<TRIPOS>MOLECULE
DB01171
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.9795    -2.2408    -0.8122	Cl	1	noname	-0.0808
2	C1     1.1934    -0.5693    -0.7335	C.2	1	noname	0.0024
3	C2     1.9046    -0.0223     0.3738	C.2	1	noname	-0.0130
4	C3     0.6559     0.2387    -1.7768	C.2	1	noname	-0.0130
5	C4     2.0955     1.3854     0.4285	C.2	1	noname	-0.0077
6	C5     0.8303     1.6556    -1.7193	C.2	1	noname	-0.0077
7	C6     1.5502     2.2168    -0.6178	C.2	1	noname	-0.0083
8	C7     1.7109     3.6643    -0.6001	C.2	1	noname	0.0113
9	O1     1.8538     4.3898    -1.6079	O.2	1	noname	-0.2963
10	N1     1.6785     4.1303     0.7742	N.3	1	noname	-0.0771
11	C8     1.6201     5.5599     0.6688	C.3	1	noname	0.0158
12	C9     1.8080     6.0902     2.0921	C.3	1	noname	0.0114
13	N2     2.1423     7.5047     2.1101	N.3	1	noname	-0.2974
14	C10     1.8522     8.0595     3.4613	C.3	1	noname	0.0219
15	C11     3.4572     7.8084     1.4455	C.3	1	noname	0.0219
16	C12     2.8641     9.1622     3.9112	C.3	1	noname	0.0595
17	C13     4.5998     8.0035     2.4657	C.3	1	noname	0.0595
18	O2     4.2691     8.9687     3.5109	O.3	1	noname	-0.3786
19	H1     2.2941    -0.6666     1.1619	H	1	noname	0.0638
20	H2     0.1191    -0.2205    -2.6069	H	1	noname	0.0638
21	H3     2.6510     1.8203     1.2594	H	1	noname	0.0631
22	H4     0.4218     2.2961    -2.5010	H	1	noname	0.0631
23	H5     1.6935     3.5791     1.6204	H	1	noname	0.1313
24	H6     2.4791     5.8620     0.0697	H	1	noname	0.0446
25	H7     0.6111     5.8053     0.3375	H	1	noname	0.0446
26	H8     0.8422     6.0175     2.5922	H	1	noname	0.0444
27	H9     2.6781     5.5846     2.5110	H	1	noname	0.0444
28	H10     0.8804     8.5436     3.3647	H	1	noname	0.0454
29	H11     1.9771     7.2191     4.1440	H	1	noname	0.0454
30	H12     3.7056     6.9202     0.8647	H	1	noname	0.0454
31	H13     3.3194     8.7665     0.9442	H	1	noname	0.0454
32	H14     2.5678    10.0791     3.4016	H	1	noname	0.0579
33	H15     2.8925     9.1288     5.0003	H	1	noname	0.0579
34	H16     4.7280     7.0553     2.9879	H	1	noname	0.0579
35	H17     5.4375     8.4468     1.9273	H	1	noname	0.0579
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	2
10	8	10	1
11	10	11	1
12	11	12	1
13	12	13	1
14	13	14	1
15	13	15	1
16	14	16	1
17	15	17	1
18	16	18	1
19	17	18	1
20	3	19	1
21	4	20	1
22	5	21	1
23	6	22	1
24	10	23	1
25	11	24	1
26	11	25	1
27	12	26	1
28	12	27	1
29	14	28	1
30	14	29	1
31	15	30	1
32	15	31	1
33	16	32	1
34	16	33	1
35	17	34	1
36	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1