@<TRIPOS>MOLECULE

37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1    -5.4903     9.2753     1.6824	C.3	1	noname	-0.0421
2	C2    -3.9300     9.3727     1.5920	C.3	1	noname	0.0038
3	C3    -3.5149     9.4342     0.0892	C.3	1	noname	-0.0421
4	C4    -3.5186    10.7152     2.2866	C.3	1	noname	-0.0421
5	N1    -3.3028     8.1915     2.1824	N.3	1	noname	0.0539
6	C5    -2.0705     8.0682     2.7327	C.2	1	noname	0.1198
7	C6    -1.8693     6.7363     3.0862	C.2	1	noname	0.0052
8	C7    -3.0432     6.0742     2.7415	C.2	1	noname	0.0517
9	N2    -3.8604     7.0065     2.2114	N.2	1	noname	-0.2911
10	C8    -3.3596     4.7094     2.9155	C.2	1	noname	-0.0239
11	C9    -4.4791     4.3320     3.6921	C.2	1	noname	-0.0179
12	C10    -4.7558     2.9721     3.9266	C.2	1	noname	-0.0176
13	C11    -3.9247     1.9745     3.3794	C.2	1	noname	0.0010
14	C12    -2.8262     2.3422     2.5780	C.2	1	noname	-0.0176
15	C13    -2.5512     3.7011     2.3415	C.2	1	noname	-0.0179
16	Cl1    -4.2422     0.3390     3.6817	Cl	1	noname	-0.0822
17	C14    -0.6500     6.3587     3.6901	C.2	1	noname	0.0621
18	N3     0.2790     7.3272     3.9056	N.2	1	noname	-0.2555
19	C15     0.0668     8.6257     3.5619	C.2	1	noname	0.0609
20	N4    -1.1017     8.9913     2.9696	N.2	1	noname	-0.2380
21	N5    -0.3489     5.1097     4.0784	N.3	1	noname	-0.1091
22	H1    -5.7931     9.2564     2.7293	H	1	noname	0.0253
23	H2    -5.9374    10.1391     1.1904	H	1	noname	0.0253
24	H3    -5.8265     8.3626     1.1904	H	1	noname	0.0253
25	H4    -3.4074     8.4216    -0.2998	H	1	noname	0.0253
26	H5    -4.2814     9.9619    -0.4782	H	1	noname	0.0253
27	H6    -2.5657     9.9619    -0.0043	H	1	noname	0.0253
28	H7    -3.5566    10.5909     3.3688	H	1	noname	0.0253
29	H8    -2.5054    10.9836     1.9871	H	1	noname	0.0253
30	H9    -4.2073    11.5052     1.9871	H	1	noname	0.0253
31	H10    -5.1337     5.0952     4.1130	H	1	noname	0.0630
32	H11    -5.6161     2.6908     4.5339	H	1	noname	0.0638
33	H12    -2.1883     1.5744     2.1403	H	1	noname	0.0638
34	H13    -1.7063     3.9745     1.7093	H	1	noname	0.0630
35	H14     0.8339     9.3740     3.7613	H	1	noname	0.1062
36	H15    -1.0860     4.4348     4.2244	H	1	noname	0.1258
37	H16     0.6147     4.8448     4.2244	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	1
4	2	5	1
5	5	6	1
6	6	7	2
7	7	8	1
8	8	9	2
9	5	9	1
10	8	10	1
11	10	11	2
12	11	12	1
13	12	13	2
14	13	14	1
15	14	15	2
16	10	15	1
17	13	16	1
18	7	17	1
19	17	18	2
20	18	19	1
21	19	20	2
22	6	20	1
23	17	21	1
24	1	22	1
25	1	23	1
26	1	24	1
27	3	25	1
28	3	26	1
29	3	27	1
30	4	28	1
31	4	29	1
32	4	30	1
33	11	31	1
34	12	32	1
35	14	33	1
36	15	34	1
37	19	35	1
38	21	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1