@<TRIPOS>MOLECULE
56848893
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.6535     5.5628    -1.8352	Cl	1	noname	-0.0806
2	S1    -0.8853     1.5657    -0.2896	S.3	1	noname	-0.0275
3	O1     5.6210     2.3380     2.3533	O.3	1	noname	-0.2033
4	O2    -1.0226     0.9731    -2.9057	O.2	1	noname	-0.2863
5	O3     5.8253     4.5808     2.7733	O.2	1	noname	-0.2463
6	N1     3.3337     3.1818     0.6781	N.3	1	noname	-0.2836
7	C1     0.8043     1.8239     0.3701	C.3	1	noname	0.0364
8	C2     0.8977     2.8475     1.5214	C.3	1	noname	-0.0240
9	C3     2.3975     3.0798     1.8653	C.3	1	noname	0.0010
10	C4     2.8025     2.9339    -0.7146	C.3	1	noname	0.0220
11	C5     1.5057     2.2511    -0.8493	C.2	1	noname	-0.0127
12	C6     4.6322     3.9727     0.7854	C.3	1	noname	0.1237
13	C7     0.8940     2.0239    -2.0253	C.2	1	noname	0.0420
14	C8     4.3479     5.4411     0.5590	C.2	1	noname	-0.0097
15	C9    -0.3807     1.4988    -1.9751	C.2	1	noname	0.0948
16	C10     5.3848     3.6569     2.0373	C.2	1	noname	0.1505
17	C11     4.7070     6.1874    -0.6010	C.2	1	noname	-0.0009
18	C12     3.6327     6.1533     1.5502	C.2	1	noname	-0.0392
19	C13     4.3213     7.5354    -0.7538	C.2	1	noname	-0.0247
20	C14     3.1082     7.4280     1.3272	C.2	1	noname	-0.0553
21	C15     3.4650     8.1366     0.1789	C.2	1	noname	-0.0508
22	C16     6.1528     1.8214     3.5813	C.3	1	noname	0.0454
23	H1     1.1520     0.8310     0.6928	H	1	noname	0.0469
24	H2     0.4151     3.7830     1.2121	H	1	noname	0.0294
25	H3     0.3757     2.4615     2.3993	H	1	noname	0.0294
26	H4     2.4810     3.9301     2.5108	H	1	noname	0.0431
27	H5     2.7313     2.1971     2.4107	H	1	noname	0.0431
28	H6     2.7775     3.8735    -1.2665	H	1	noname	0.0478
29	H7     3.5551     2.4156    -1.3089	H	1	noname	0.0478
30	H8     5.3094     3.5892     0.0073	H	1	noname	0.0629
31	H9     1.3151     2.2156    -2.9033	H	1	noname	0.0669
32	H10     3.5461     5.7809     2.4700	H	1	noname	0.0626
33	H11     4.6082     8.0907    -1.5521	H	1	noname	0.0638
34	H12     2.4732     7.8446     1.9964	H	1	noname	0.0622
35	H13     3.1354     9.0923     0.0400	H	1	noname	0.0623
36	H14     5.4290     1.1438     4.0341	H	1	noname	0.0536
37	H15     6.3556     2.6459     4.2647	H	1	noname	0.0536
38	H16     7.0779     1.2819     3.3781	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	17	1
2	2	7	1
3	2	15	1
4	3	16	1
5	3	22	1
6	4	15	2
7	5	16	2
8	6	9	1
9	6	10	1
10	6	12	1
11	7	8	1
12	7	11	1
13	7	23	1
14	8	9	1
15	8	24	1
16	8	25	1
17	9	26	1
18	9	27	1
19	10	11	1
20	10	28	1
21	10	29	1
22	11	13	2
23	12	14	1
24	12	16	1
25	12	30	1
26	13	15	1
27	13	31	1
28	14	17	1
29	14	18	2
30	17	19	2
31	18	20	1
32	18	32	1
33	19	21	1
34	19	33	1
35	20	21	2
36	20	34	1
37	21	35	1
38	22	36	1
39	22	37	1
40	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1