@<TRIPOS>MOLECULE
36409
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4340    -3.6251     0.0318	O.3	1	noname	-0.2852
2	C1     0.1460    -2.4063     0.0576	C.2	1	noname	0.0073
3	C2    -0.6808    -1.2423     0.0637	C.2	1	noname	-0.0074
4	C3     1.5750    -2.3135     0.0781	C.2	1	noname	-0.0173
5	C4    -0.0006     0.0083     0.0805	C.2	1	noname	-0.0214
6	C5     2.2403    -1.0510     0.1045	C.2	1	noname	-0.0314
7	C6     1.4064     0.0970     0.0981	C.2	1	noname	-0.0790
8	C7    -0.5071     1.2921     0.0190	C.2	1	noname	-0.0181
9	N1     1.7829     1.3787     0.0438	N.3	1	noname	-0.0403
10	C8     0.6413     2.1054    -0.0321	C.2	1	noname	-0.0764
11	C9     0.6966     3.4670    -0.3803	C.2	1	noname	0.0564
12	N2     1.7505     4.2990    -0.1935	N.2	1	noname	-0.2988
13	C10    -0.2007     4.1535    -1.1729	C.2	1	noname	0.0020
14	N3     1.5570     5.4294    -0.8129	N.3	1	noname	0.0291
15	C11    -1.4312     3.8557    -1.7926	C.2	1	noname	0.0631
16	C12     0.3796     5.3863    -1.4583	C.2	1	noname	0.1209
17	C13     2.4441     6.5254    -0.8066	C.3	1	noname	-0.0114
18	N4    -1.9489     4.8083    -2.6348	N.2	1	noname	-0.2583
19	N5    -2.0660     2.6967    -1.5701	N.3	1	noname	-0.1088
20	N6    -0.1670     6.2966    -2.3010	N.2	1	noname	-0.2410
21	C14     3.7898     6.0957    -1.3942	C.3	1	noname	-0.0447
22	C15     2.6464     7.0094     0.6307	C.3	1	noname	-0.0447
23	C16    -1.3551     6.0111    -2.9169	C.2	1	noname	0.0617
24	H1    -0.5788    -3.9296     0.9307	H	1	noname	0.2181
25	H2    -1.7689    -1.3049     0.0560	H	1	noname	0.0657
26	H3     2.1709    -3.2262     0.0736	H	1	noname	0.0650
27	H4     3.3269    -0.9680     0.1283	H	1	noname	0.0643
28	H5    -1.5556     1.5901     0.0124	H	1	noname	0.0650
29	H6     2.7314     1.7254     0.0573	H	1	noname	0.1528
30	H7     1.9619     7.2852    -1.4217	H	1	noname	0.0521
31	H8    -3.0724     2.6802    -1.4863	H	1	noname	0.1258
32	H9    -1.5381     1.8398    -1.4863	H	1	noname	0.1258
33	H10     4.4853     5.8736    -0.5849	H	1	noname	0.0250
34	H11     3.6506     5.2059    -2.0082	H	1	noname	0.0250
35	H12     4.1920     6.9015    -2.0082	H	1	noname	0.0250
36	H13     2.7398     6.1495     1.2939	H	1	noname	0.0250
37	H14     3.5531     7.6118     0.6870	H	1	noname	0.0250
38	H15     1.7905     7.6118     0.9351	H	1	noname	0.0250
39	H16    -1.8129     6.7180    -3.6088	H	1	noname	0.1062
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	2
11	9	10	1
12	10	11	1
13	11	12	2
14	11	13	1
15	12	14	1
16	13	15	2
17	13	16	1
18	14	17	1
19	14	16	1
20	15	18	1
21	15	19	1
22	16	20	2
23	17	21	1
24	17	22	1
25	18	23	2
26	20	23	1
27	1	24	1
28	3	25	1
29	4	26	1
30	6	27	1
31	8	28	1
32	9	29	1
33	17	30	1
34	19	31	1
35	19	32	1
36	21	33	1
37	21	34	1
38	21	35	1
39	22	36	1
40	22	37	1
41	22	38	1
42	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1