@<TRIPOS>MOLECULE
DB03421
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2387    -0.9764     0.1300	O.2	1	noname	-0.2861
2	C1     1.5116     0.0377     0.0572	C.2	1	noname	0.0438
3	N1     2.0086     1.2766    -0.2193	N.3	1	noname	-0.0185
4	C2     0.1108    -0.0151     0.2558	C.2	1	noname	0.0299
5	N2     1.2741     2.3761    -0.3086	N.3	1	noname	-0.0212
6	C3     3.3985     1.3963    -0.4241	C.3	1	noname	0.0260
7	C4    -0.6913     1.1943     0.1801	C.2	1	noname	0.0300
8	C5    -0.4982    -1.2717     0.5451	C.2	1	noname	-0.0029
9	C6    -0.0779     2.4327    -0.1311	C.2	1	noname	0.0416
10	C7     3.9860     2.3557     0.6128	C.3	1	noname	-0.0131
11	C8    -2.0901     1.1575     0.4525	C.2	1	noname	-0.0032
12	C9    -1.9109    -1.3079     0.7635	C.2	1	noname	-0.0297
13	O2    -0.7258     3.4966    -0.2352	O.2	1	noname	-0.2873
14	C10     5.4252     2.4797     0.4006	C.2	1	noname	-0.0544
15	C11    -2.6884    -0.1093     0.7361	C.2	1	noname	-0.0294
16	C12     6.1811     3.3033     1.2268	C.2	1	noname	-0.0568
17	C13     6.0395     1.7743    -0.6275	C.2	1	noname	-0.0568
18	C14     7.5512     3.4213     1.0249	C.2	1	noname	-0.0605
19	C15     7.4097     1.8923    -0.8294	C.2	1	noname	-0.0605
20	C16     8.1655     2.7158    -0.0033	C.2	1	noname	-0.0616
21	H1     1.7767     3.2249    -0.5259	H	1	noname	0.1515
22	H2     3.8045     0.4024    -0.2360	H	1	noname	0.0454
23	H3     3.5068     1.8519    -1.4084	H	1	noname	0.0454
24	H4     0.1006    -2.1809     0.5981	H	1	noname	0.0630
25	H5     3.5684     3.3441     0.4206	H	1	noname	0.0329
26	H6     3.8661     1.8946     1.5931	H	1	noname	0.0329
27	H7    -2.6846     2.0710     0.4441	H	1	noname	0.0630
28	H8    -2.4019    -2.2624     0.9533	H	1	noname	0.0622
29	H9    -3.7587    -0.1624     0.9355	H	1	noname	0.0622
30	H10     5.6993     3.8565     2.0330	H	1	noname	0.0625
31	H11     5.4467     1.1285    -1.2753	H	1	noname	0.0625
32	H12     8.1440     4.0671     1.6727	H	1	noname	0.0622
33	H13     7.8914     1.3391    -1.6357	H	1	noname	0.0622
34	H14     9.2400     2.8084    -0.1616	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	6	10	1
10	7	11	1
11	7	9	1
12	8	12	2
13	9	13	2
14	10	14	1
15	11	15	2
16	12	15	1
17	14	16	2
18	14	17	1
19	16	18	1
20	17	19	2
21	18	20	2
22	19	20	1
23	5	21	1
24	6	22	1
25	6	23	1
26	8	24	1
27	10	25	1
28	10	26	1
29	11	27	1
30	12	28	1
31	15	29	1
32	16	30	1
33	17	31	1
34	18	32	1
35	19	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1