@<TRIPOS>MOLECULE
71587295
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.9145     5.5892    -2.6885	Cl	1	noname	-0.0846
2	O1     1.8961     0.1529    -0.6475	O.2	1	noname	-0.2800
3	N1    -0.4805     0.1939    -0.3725	N.3	1	noname	0.0568
4	N2    -1.4929     1.1930     1.5028	N.3	1	noname	0.0425
5	N3    -2.6441     0.2164    -0.2292	N.2	1	noname	-0.2405
6	N4     1.8940     1.0153     2.3517	N.3	1	noname	-0.0257
7	N5     0.0153     1.6299     3.3572	N.2	1	noname	-0.2006
8	C1    -2.4302    -0.4696    -1.4054	C.3	1	noname	0.0718
9	C2    -0.8981    -0.4681    -1.5626	C.3	1	noname	0.0385
10	C3    -1.5566     0.5632     0.3254	C.2	1	noname	-0.0501
11	C4    -2.9258    -1.9092    -1.2536	C.3	1	noname	-0.0386
12	C5    -3.1551     0.1516    -2.6010	C.3	1	noname	-0.0386
13	C6     0.8855     0.3867     0.0500	C.2	1	noname	0.0534
14	C7    -0.2713     1.2950     2.0953	C.2	1	noname	0.0771
15	C8     0.9059     0.9099     1.4526	C.2	1	noname	-0.0592
16	C9    -2.0648     2.4760     1.3810	C.3	1	noname	0.0371
17	C10    -1.3309     3.2429     0.3786	C.2	1	noname	-0.0442
18	C11     1.3474     1.4491     3.5091	C.2	1	noname	-0.0211
19	C12    -0.7068     4.4330     0.7338	C.2	1	noname	-0.0424
20	C13    -1.2563     2.7829    -0.9310	C.2	1	noname	-0.0424
21	C14    -0.0081     5.1631    -0.2206	C.2	1	noname	-0.0247
22	C15    -0.5576     3.5130    -1.8853	C.2	1	noname	-0.0247
23	C16     0.0665     4.7031    -1.5302	C.2	1	noname	-0.0123
24	H1    -0.6223     0.1334    -2.4288	H	1	noname	0.0466
25	H2    -0.4400    -1.4474    -1.7009	H	1	noname	0.0466
26	H3    -2.9470    -0.4340    -3.4965	H	1	noname	0.0255
27	H4    -2.7566    -2.4517    -2.1838	H	1	noname	0.0255
28	H5    -3.9914    -1.9043    -1.0245	H	1	noname	0.0255
29	H6    -2.3824    -2.3971    -0.4445	H	1	noname	0.0255
30	H7    -4.2286     0.1574    -2.4121	H	1	noname	0.0255
31	H8    -2.8062     1.1740    -2.7463	H	1	noname	0.0255
32	H9    -3.1068     2.3818     1.0753	H	1	noname	0.0490
33	H10    -2.0128     2.9895     2.3411	H	1	noname	0.0490
34	H11     2.8311     0.8164     2.1994	H	1	noname	0.1539
35	H12     1.8645     1.6161     4.3724	H	1	noname	0.1013
36	H13    -0.7615     4.7706     1.6947	H	1	noname	0.0626
37	H14    -1.7143     1.9095    -1.1916	H	1	noname	0.0626
38	H15     0.4499     6.0365     0.0400	H	1	noname	0.0638
39	H16    -0.5029     3.1754    -2.8463	H	1	noname	0.0638
@<TRIPOS>BOND
1	1	23	1
2	2	13	2
3	3	9	1
4	3	10	1
5	3	13	1
6	4	10	1
7	4	14	1
8	4	16	1
9	5	8	1
10	5	10	2
11	6	15	1
12	6	18	1
13	6	34	1
14	7	14	1
15	7	18	2
16	8	9	1
17	8	11	1
18	8	12	1
19	9	24	1
20	9	25	1
21	11	27	1
22	11	28	1
23	11	29	1
24	12	26	1
25	12	30	1
26	12	31	1
27	13	15	1
28	14	15	2
29	16	17	1
30	16	32	1
31	16	33	1
32	17	19	2
33	17	20	1
34	18	35	1
35	19	21	1
36	19	36	1
37	20	22	2
38	20	37	1
39	21	23	2
40	21	38	1
41	22	23	1
42	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1