@<TRIPOS>MOLECULE
72941624
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.2507     3.9497     0.1367	Cl	1	noname	-0.0847
2	O1     1.4901    -3.8037     1.2131	O.2	1	noname	-0.2620
3	O2    -0.6203    -3.8086    -0.1767	O.2	1	noname	-0.2449
4	N1     1.7968    -1.5618     1.0949	N.3	1	noname	-0.0341
5	N2    -0.1444    -1.7958    -1.2516	N.3	1	noname	-0.1131
6	C1     2.3449    -0.6725     0.0764	C.3	1	noname	0.0691
7	C2     1.1707     0.1571    -0.3915	C.2	1	noname	-0.0068
8	C3     0.0315    -0.4125    -1.0644	C.2	1	noname	-0.0054
9	C4     3.3032    -1.3461    -0.9507	C.2	1	noname	-0.0452
10	C5     1.1064    -2.6913     0.7429	C.2	1	noname	0.1039
11	C6     1.0644     1.5427    -0.0193	C.2	1	noname	-0.0079
12	C7     0.0639    -2.7504    -0.2414	C.2	1	noname	0.1605
13	C8     1.9103    -1.2735     2.5090	C.3	1	noname	-0.0042
14	C9    -1.0278     0.4503    -1.4981	C.2	1	noname	-0.0199
15	C10     4.6498    -0.8778    -1.1078	C.2	1	noname	-0.0509
16	C11     2.9434    -2.4490    -1.7997	C.2	1	noname	-0.0509
17	C12    -0.0507     2.3431    -0.3760	C.2	1	noname	-0.0085
18	C13    -0.5952    -2.2841    -2.5493	C.3	1	noname	-0.0001
19	C14    -1.0911     1.8107    -1.1515	C.2	1	noname	-0.0181
20	C15     5.5293    -1.3515    -2.1250	C.2	1	noname	-0.0589
21	C16     3.8115    -2.9282    -2.8209	C.2	1	noname	-0.0589
22	C17     5.0977    -2.3675    -3.0018	C.2	1	noname	-0.0612
23	H1     3.0213     0.0264     0.5731	H	1	noname	0.0575
24	H2     1.7923     1.9856     0.5541	H	1	noname	0.0642
25	H3     1.4206    -0.3244     2.7268	H	1	noname	0.0399
26	H4     1.4327    -2.0686     3.0814	H	1	noname	0.0399
27	H5     2.9633    -1.2103     2.7835	H	1	noname	0.0399
28	H6    -1.8225     0.0828    -2.0454	H	1	noname	0.0640
29	H7     5.0372    -0.1734    -0.5130	H	1	noname	0.0626
30	H8     2.0625    -2.8980    -1.7088	H	1	noname	0.0626
31	H9    -1.5386    -2.8167    -2.4294	H	1	noname	0.0403
32	H10    -0.7373    -1.4410    -3.2253	H	1	noname	0.0403
33	H11     0.1533    -2.9596    -2.9633	H	1	noname	0.0403
34	H12    -1.8709     2.3939    -1.4550	H	1	noname	0.0638
35	H13     6.4655    -0.9576    -2.2178	H	1	noname	0.0622
36	H14     3.5022    -3.6856    -3.4302	H	1	noname	0.0622
37	H15     5.7034    -2.6933    -3.7550	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	17	1
2	2	10	2
3	3	12	2
4	4	6	1
5	4	10	1
6	4	13	1
7	5	8	1
8	5	12	1
9	5	18	1
10	6	7	1
11	6	9	1
12	6	23	1
13	7	8	2
14	7	11	1
15	8	14	1
16	9	15	2
17	9	16	1
18	10	12	1
19	11	17	2
20	11	24	1
21	13	25	1
22	13	26	1
23	13	27	1
24	14	19	2
25	14	28	1
26	15	20	1
27	15	29	1
28	16	21	2
29	16	30	1
30	17	19	1
31	18	31	1
32	18	32	1
33	18	33	1
34	19	34	1
35	20	22	2
36	20	35	1
37	21	22	1
38	21	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1