@<TRIPOS>MOLECULE
DB07122
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9094    -2.0361    -1.4494	O.2	1	noname	-0.2963
2	C1    -0.7921    -1.1612    -0.5644	C.2	1	noname	0.0952
3	C2     0.2937    -0.2936    -0.5844	C.2	1	noname	-0.0190
4	C3    -1.7956    -1.0505     0.4903	C.3	1	noname	0.0360
5	C4     0.7935     0.2218     0.6059	C.2	1	noname	-0.0193
6	C5     0.8797     0.0587    -1.7946	C.2	1	noname	-0.0193
7	C6    -2.8255    -2.0659     0.2906	C.2	1	noname	-0.0727
8	C7     1.8793     1.0894     0.5859	C.2	1	noname	-0.0484
9	C8     1.9655     0.9262    -1.8146	C.2	1	noname	-0.0484
10	C9    -3.8931    -2.1566     1.1761	C.2	1	noname	-0.0557
11	C10    -2.7384    -2.9421    -0.7850	C.2	1	noname	-0.0557
12	C11     2.4653     1.4416    -0.6243	C.2	1	noname	-0.0413
13	C12    -4.8736    -3.1233     0.9860	C.2	1	noname	-0.0554
14	C13    -3.7189    -3.9088    -0.9751	C.2	1	noname	-0.0554
15	C14    -4.7865    -3.9994    -0.0896	C.2	1	noname	-0.0301
16	N1    -5.7317    -4.9314    -0.2729	N.3	1	noname	-0.0154
17	C15    -6.6843    -4.4444    -1.0289	C.2	1	noname	-0.1220
18	N2    -7.6902    -5.1671    -1.3317	N.2	1	noname	-0.2707
19	N3    -6.6035    -3.2149    -1.4737	N.3	1	noname	-0.1313
20	H1    -1.2945    -1.2908     1.4279	H	1	noname	0.0400
21	H2    -2.2798    -0.0822     0.3636	H	1	noname	0.0400
22	H3     0.3339    -0.0544     1.5549	H	1	noname	0.0630
23	H4     0.4877    -0.3455    -2.7280	H	1	noname	0.0630
24	H5     2.2712     1.4935     1.5192	H	1	noname	0.0622
25	H6     2.4250     1.2024    -2.7636	H	1	noname	0.0622
26	H7    -3.9614    -1.4695     2.0195	H	1	noname	0.0626
27	H8    -1.9012    -2.8710    -1.4794	H	1	noname	0.0626
28	H9     3.3168     2.1220    -0.6400	H	1	noname	0.0622
29	H10    -5.7108    -3.1944     1.6803	H	1	noname	0.0639
30	H11    -3.6506    -4.5958    -1.8186	H	1	noname	0.0639
31	H12    -5.7269    -5.8680     0.1051	H	1	noname	0.1367
32	H13    -8.1394    -5.4899    -0.4866	H	1	noname	0.1898
33	H14    -5.6996    -2.7983    -1.6452	H	1	noname	0.1267
34	H15    -7.4452    -2.6836    -1.6452	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	5	8	1
8	6	9	2
9	7	10	2
10	7	11	1
11	8	12	2
12	9	12	1
13	10	13	1
14	11	14	2
15	13	15	2
16	14	15	1
17	15	16	1
18	16	17	1
19	17	18	2
20	17	19	1
21	4	20	1
22	4	21	1
23	5	22	1
24	6	23	1
25	8	24	1
26	9	25	1
27	10	26	1
28	11	27	1
29	12	28	1
30	13	29	1
31	14	30	1
32	16	31	1
33	18	32	1
34	19	33	1
35	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1