@<TRIPOS>MOLECULE
121225695
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.4974     1.0110    -6.7327	Cl	1	noname	-0.0842
2	O1     0.6897    -3.4846    -1.7710	O.3	1	noname	-0.3644
3	O2    -0.9893    -2.0178     0.5180	O.2	1	noname	-0.2559
4	N1    -0.9722    -0.8829    -1.5669	N.3	1	noname	-0.1169
5	N2     1.9067    -1.6469    -1.0696	N.2	1	noname	-0.2312
6	C1    -0.3232    -0.4775    -2.7880	C.2	1	noname	0.0066
7	C2     1.1262    -0.4964    -3.0061	C.2	1	noname	0.0058
8	C3     2.1483    -0.7981    -2.0153	C.2	1	noname	0.0126
9	C4     0.8306    -2.4836    -0.7739	C.3	1	noname	0.2208
10	C5    -0.4419    -1.7559    -0.5950	C.2	1	noname	0.1599
11	C6     3.4889    -0.2244    -1.8974	C.2	1	noname	-0.0298
12	C7    -1.1244    -0.0109    -3.9007	C.2	1	noname	-0.0168
13	C8     1.5661    -0.1871    -4.3280	C.2	1	noname	0.0045
14	C9    -2.2922    -0.3673    -1.2325	C.3	1	noname	-0.0005
15	C10    -0.5912     0.4879    -5.1017	C.2	1	noname	-0.0131
16	C11     0.7845     0.4264    -5.3069	C.2	1	noname	-0.0052
17	C12     4.0480     0.0940    -0.6028	C.2	1	noname	-0.0345
18	C13     4.3930     0.0663    -2.9826	C.2	1	noname	-0.0345
19	C14     5.2419     0.8387    -0.4339	C.2	1	noname	-0.0532
20	C15     5.5400     0.8808    -2.8479	C.2	1	noname	-0.0532
21	C16     5.9562     1.2859    -1.5639	C.2	1	noname	-0.0523
22	H1     1.0754    -3.0299     0.1498	H	1	noname	0.0965
23	H2    -2.1449    -0.0197    -3.8752	H	1	noname	0.0640
24	H3     2.4557    -0.4523    -4.6602	H	1	noname	0.0645
25	H4    -2.9936    -1.1966    -1.1408	H	1	noname	0.0403
26	H5    -2.6287     0.3078    -2.0194	H	1	noname	0.0403
27	H6    -2.2425     0.1728    -0.2871	H	1	noname	0.0403
28	H7    -1.1934     0.8585    -5.8566	H	1	noname	0.0638
29	H8     3.5940    -0.1657     0.2652	H	1	noname	0.0629
30	H9     4.3218    -0.3457    -3.8890	H	1	noname	0.0629
31	H10     5.5837     1.0506     0.5035	H	1	noname	0.0622
32	H11     6.0626     1.1732    -3.6736	H	1	noname	0.0622
33	H12     1.5082    -4.0218    -1.8126	H	1	noname	0.2133
34	H13     6.7659     1.8964    -1.4533	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	16	1
2	2	9	1
3	2	33	1
4	3	10	2
5	4	6	1
6	4	10	1
7	4	14	1
8	5	8	2
9	5	9	1
10	6	7	2
11	6	12	1
12	7	8	1
13	7	13	1
14	8	11	1
15	9	10	1
16	9	22	1
17	11	17	2
18	11	18	1
19	12	15	2
20	12	23	1
21	13	16	2
22	13	24	1
23	14	25	1
24	14	26	1
25	14	27	1
26	15	16	1
27	15	28	1
28	17	19	1
29	17	29	1
30	18	20	2
31	18	30	1
32	19	21	2
33	19	31	1
34	20	21	1
35	20	32	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1