@<TRIPOS>MOLECULE
70695665
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     5.5991     0.0988     4.0135	Cl	1	noname	-0.0872
2	O1     1.6522    -0.4190    -0.3611	O.3	1	noname	-0.2575
3	O2    -0.8700     0.0745     2.4994	O.2	1	noname	-0.2946
4	N1    -0.5353     0.5964     0.1582	N.3	1	noname	-0.0590
5	N2     0.3596     2.9620    -2.5093	N.3	1	noname	-0.3056
6	C1     1.4072     2.0532    -0.4689	C.3	1	noname	0.0226
7	C2     0.7178     0.6507    -0.6812	C.3	1	noname	0.1370
8	C3     1.7690     2.1367     1.0567	C.3	1	noname	0.0028
9	C4     0.5248     3.2107    -1.0527	C.3	1	noname	0.0054
10	C5     0.3524     0.4147    -2.1853	C.3	1	noname	0.0038
11	C6     0.4869     2.0739     1.9511	C.3	1	noname	0.0287
12	C7    -0.3271     1.6713    -2.8143	C.3	1	noname	0.0020
13	C8     2.6709     0.9875     1.4182	C.2	1	noname	-0.0092
14	C9    -0.3716     0.8177     1.6266	C.2	1	noname	0.0461
15	C10     2.5454    -0.2483     0.6860	C.2	1	noname	0.0117
16	C11    -0.3876     4.0655    -3.1104	C.3	1	noname	-0.0133
17	C12     3.6208     1.1016     2.4862	C.2	1	noname	-0.0104
18	C13     3.3677    -1.3631     1.0010	C.2	1	noname	-0.0157
19	C14     4.4527    -0.0180     2.7814	C.2	1	noname	-0.0213
20	C15     4.3290    -1.2319     2.0510	C.2	1	noname	-0.0157
21	H1     2.3449     2.0682    -1.0378	H	1	noname	0.0366
22	H2     2.2697     3.1033     1.2113	H	1	noname	0.0363
23	H3    -0.4522     3.2018    -0.5695	H	1	noname	0.0435
24	H4     1.0027     4.1777    -0.8958	H	1	noname	0.0435
25	H5    -0.3190    -0.4402    -2.2663	H	1	noname	0.0323
26	H6     1.2885     0.2560    -2.7205	H	1	noname	0.0323
27	H7    -0.1100     2.9723     1.7942	H	1	noname	0.0367
28	H8     0.7248     2.0997     3.0145	H	1	noname	0.0367
29	H9    -1.3651     1.7256    -2.4861	H	1	noname	0.0432
30	H10    -0.4054     1.5472    -3.8944	H	1	noname	0.0432
31	H11    -1.4048     0.4260    -0.2366	H	1	noname	0.1339
32	H12    -0.5087     3.8833    -4.1782	H	1	noname	0.0394
33	H13    -1.3685     4.1385    -2.6408	H	1	noname	0.0394
34	H14     0.1573     4.9976    -2.9604	H	1	noname	0.0394
35	H15     3.6997     1.9652     3.0232	H	1	noname	0.0642
36	H16     3.2741    -2.2398     0.4880	H	1	noname	0.0650
37	H17     4.9347    -2.0202     2.2795	H	1	noname	0.0639
@<TRIPOS>BOND
1	1	19	1
2	2	7	1
3	2	15	1
4	3	14	2
5	4	7	1
6	4	14	1
7	4	31	1
8	5	9	1
9	5	12	1
10	5	16	1
11	6	7	1
12	6	8	1
13	6	9	1
14	6	21	1
15	7	10	1
16	8	11	1
17	8	13	1
18	8	22	1
19	9	23	1
20	9	24	1
21	10	12	1
22	10	25	1
23	10	26	1
24	11	14	1
25	11	27	1
26	11	28	1
27	12	29	1
28	12	30	1
29	13	15	2
30	13	17	1
31	15	18	1
32	16	32	1
33	16	33	1
34	16	34	1
35	17	19	2
36	17	35	1
37	18	20	2
38	18	36	1
39	19	20	1
40	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1