@<TRIPOS>MOLECULE
DB07484
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6390     3.6808     3.7102	O.2	1	noname	-0.1434
2	N1    -2.8127     2.8331     2.9301	N.2	1	noname	0.0487
3	O2    -3.9439     2.7025     2.3792	O.3	1	noname	-0.1434
4	C1    -1.7880     1.9745     2.6083	C.3	1	noname	0.1529
5	C2    -2.2768     0.9641     1.5686	C.3	1	noname	0.1884
6	O3    -2.7010     1.6532     0.4017	O.3	1	noname	-0.3639
7	O4    -3.3644     0.2238     2.1028	O.3	1	noname	-0.3639
8	C3    -1.1366     0.0088     1.2105	C.3	1	noname	0.0156
9	C4    -1.6031    -0.9554     0.2183	C.3	1	noname	0.0540
10	C5    -2.7749    -1.7531     0.7940	C.2	1	noname	0.1367
11	C6    -0.4629    -1.9108    -0.1398	C.3	1	noname	-0.0155
12	O5    -3.8898    -1.7212     0.2296	O.2	1	noname	-0.2546
13	O6    -2.6049    -2.4913     1.9114	O.3	1	noname	-0.2179
14	C7     0.6554    -1.1496    -0.6891	C.2	1	noname	-0.0546
15	C8     0.7320    -0.9164    -2.0573	C.2	1	noname	-0.0570
16	C9     1.6435    -0.6582     0.1561	C.2	1	noname	-0.0570
17	C10     1.7966    -0.1917    -2.5802	C.2	1	noname	-0.0605
18	C11     2.7081     0.0665    -0.3669	C.2	1	noname	-0.0605
19	C12     2.7847     0.2997    -1.7350	C.2	1	noname	-0.0616
20	H1    -1.0275     2.6057     2.1484	H	1	noname	0.0625
21	H2    -1.5676     1.4419     3.5334	H	1	noname	0.0625
22	H3    -2.9467     1.0172    -0.2740	H	1	noname	0.2136
23	H4    -3.3280     0.2486     3.0618	H	1	noname	0.2136
24	H5    -0.3596     0.5935     0.7180	H	1	noname	0.0330
25	H6    -0.8997    -0.5703     2.1030	H	1	noname	0.0330
26	H7    -1.9173    -0.3854    -0.6560	H	1	noname	0.0414
27	H8    -0.0986    -2.3511     0.7883	H	1	noname	0.0324
28	H9    -0.8134    -2.5536    -0.9473	H	1	noname	0.0324
29	H10    -2.6390    -3.4241     1.6870	H	1	noname	0.2213
30	H11    -0.0429    -1.3017    -2.7200	H	1	noname	0.0625
31	H12     1.5834    -0.8411     1.2289	H	1	noname	0.0625
32	H13     1.8567    -0.0088    -3.6531	H	1	noname	0.0622
33	H14     3.4829     0.4518     0.2959	H	1	noname	0.0622
34	H15     3.6195     0.8680    -2.1451	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	5	7	1
7	5	8	1
8	9	8	1
9	9	10	1
10	9	11	1
11	10	12	2
12	10	13	1
13	11	14	1
14	14	15	2
15	14	16	1
16	15	17	1
17	16	18	2
18	17	19	2
19	18	19	1
20	4	20	1
21	4	21	1
22	6	22	1
23	7	23	1
24	8	24	1
25	8	25	1
26	9	26	1
27	11	27	1
28	11	28	1
29	13	29	1
30	15	30	1
31	16	31	1
32	17	32	1
33	18	33	1
34	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1