@<TRIPOS>MOLECULE
91668187
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6734    -1.6039     0.0238	S.3	1	noname	-0.1880
2	O1    -3.5439    -0.6701     0.0478	O.3	1	noname	-0.2845
3	N1     1.7731     0.9002     0.0240	N.2	1	noname	-0.2148
4	N2    10.0651     1.3953    -0.1297	N.2	1	noname	-0.2659
5	N3    12.0381     2.6603    -0.1671	N.3	1	noname	-0.1122
6	C1     0.1223    -0.7875     0.0299	C.2	1	noname	0.0401
7	C2     0.4450     0.5961     0.0400	C.2	1	noname	0.0205
8	C3     2.6469    -0.1363     0.0075	C.2	1	noname	0.0848
9	C4    -1.2242    -1.2746     0.0284	C.2	1	noname	0.0186
10	C5    -0.5882     1.5736     0.0635	C.2	1	noname	0.0006
11	C6    -2.2511    -0.2813     0.0482	C.2	1	noname	0.0149
12	C7    -1.9420     1.1166     0.0685	C.2	1	noname	-0.0098
13	C8     7.9078     2.4591    -0.0915	C.2	1	noname	-0.0458
14	C9     4.0222    -0.0527    -0.0176	C.2	1	noname	0.0127
15	C10     8.5469     3.7428    -0.1046	C.2	1	noname	-0.0367
16	C11     6.5398     2.3931    -0.0665	C.2	1	noname	-0.0463
17	C12    10.6989     2.6215    -0.1426	C.2	1	noname	0.0208
18	C13     4.6187     1.1360    -0.0300	C.2	1	noname	-0.0402
19	C14     9.9702     3.8512    -0.1307	C.2	1	noname	-0.0342
20	C15     5.9088     1.2177    -0.0536	C.2	1	noname	-0.0535
21	C16     8.7105     1.2654    -0.1049	C.2	1	noname	0.0008
22	C17    12.4835     2.6724    -1.5049	C.3	1	noname	-0.0101
23	H1    -1.4377    -2.2719     0.0140	H	1	noname	0.0665
24	H2    -0.3694     2.5698     0.0763	H	1	noname	0.0646
25	H3    -2.7011     1.7977     0.0869	H	1	noname	0.0650
26	H4     4.5673    -0.8791    -0.0264	H	1	noname	0.0654
27	H5     7.9775     4.5890    -0.0951	H	1	noname	0.0630
28	H6     6.0114     3.2302    -0.0577	H	1	noname	0.0629
29	H7     4.0726     1.9617    -0.0211	H	1	noname	0.0623
30	H8    10.4410     4.7560    -0.1403	H	1	noname	0.0656
31	H9     6.4435     0.3845    -0.0625	H	1	noname	0.0622
32	H10     8.2747     0.3432    -0.0959	H	1	noname	0.0846
33	H11    12.3925     1.8784     0.2846	H	1	noname	0.1292
34	H12    -3.5906    -1.6489     0.0328	H	1	noname	0.2181
35	H13    13.5729     2.7039    -1.5248	H	1	noname	0.0396
36	H14    12.0853     3.5509    -2.0125	H	1	noname	0.0396
37	H15    12.1368     1.7717    -2.0115	H	1	noname	0.0396
@<TRIPOS>BOND
1	1	6	1
2	1	8	1
3	2	11	1
4	2	34	1
5	3	7	1
6	3	8	2
7	4	17	2
8	4	21	1
9	5	17	1
10	5	22	1
11	5	33	1
12	6	7	2
13	6	9	1
14	7	10	1
15	8	14	1
16	9	11	2
17	9	23	1
18	10	12	2
19	10	24	1
20	11	12	1
21	12	25	1
22	13	15	1
23	13	16	1
24	13	21	2
25	14	18	2
26	14	26	1
27	15	19	2
28	15	27	1
29	16	20	2
30	16	28	1
31	17	19	1
32	18	20	1
33	18	29	1
34	19	30	1
35	20	31	1
36	21	32	1
37	22	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1