@<TRIPOS>MOLECULE
DB04878
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9932    -0.0969    -0.2619	O.3	1	noname	-0.3845
2	C1    -0.7989     0.4025     0.3089	C.3	1	noname	0.1177
3	C2     0.3350    -0.4304    -0.3825	C.3	1	noname	0.1135
4	C3    -0.7482     1.9669     0.1581	C.3	1	noname	-0.0011
5	C4    -0.8110     0.1369     1.8177	C.3	1	noname	0.0747
6	O2    -0.1700    -1.7068    -0.7462	O.3	1	noname	-0.3871
7	C5     0.9450     0.2686    -1.6441	C.3	1	noname	0.1102
8	C6     0.6695     2.5445    -0.1863	C.3	1	noname	0.0388
9	O3    -0.9023    -1.2607     2.0516	O.3	1	noname	-0.3931
10	O4     2.0697    -0.4705    -2.0973	O.3	1	noname	-0.3874
11	C7     1.3765     1.7510    -1.3492	C.3	1	noname	0.0980
12	N1     0.5441     3.9517    -0.5626	N.3	1	noname	-0.3041
13	O5     1.3122     2.5101    -2.5475	O.3	1	noname	-0.3886
14	C8    -0.0315     4.7045     0.5507	C.3	1	noname	0.0538
15	C9    -0.1627     6.1771     0.1569	C.3	1	noname	0.0608
16	C10     0.8797     4.5828     1.7738	C.3	1	noname	0.0608
17	O6    -1.0083     6.2900    -0.9782	O.3	1	noname	-0.3945
18	O7     0.3206     5.3139     2.8551	O.3	1	noname	-0.3945
19	H1    -2.6002    -0.3508     0.4372	H	1	noname	0.2110
20	H2     1.1287    -0.6275     0.3381	H	1	noname	0.0660
21	H3    -1.3773     2.2012    -0.7007	H	1	noname	0.0315
22	H4    -0.9972     2.3665     1.1412	H	1	noname	0.0315
23	H5     0.1562     0.4363     2.2214	H	1	noname	0.0594
24	H6    -1.7276     0.5605     2.2281	H	1	noname	0.0594
25	H7    -0.3691    -2.2100     0.0467	H	1	noname	0.2107
26	H8     0.2359     0.2353    -2.4712	H	1	noname	0.0656
27	H9     1.2942     2.5176     0.7064	H	1	noname	0.0493
28	H10    -0.9132    -1.4269     2.9970	H	1	noname	0.2101
29	H11     2.5645    -0.7957    -1.3417	H	1	noname	0.2106
30	H12     2.4259     1.6898    -1.0608	H	1	noname	0.0645
31	H13     0.8135     4.3432    -1.4538	H	1	noname	0.1230
32	H14     1.2718     1.9162    -3.3007	H	1	noname	0.2106
33	H15    -1.0109     4.2723     0.7559	H	1	noname	0.0512
34	H16    -0.6842     6.6964     0.9609	H	1	noname	0.0580
35	H17     0.8155     6.5267    -0.1733	H	1	noname	0.0580
36	H18     0.8768     3.5411     2.0947	H	1	noname	0.0580
37	H19     1.8222     5.0795     1.5434	H	1	noname	0.0580
38	H20    -1.2419     5.4132    -1.2917	H	1	noname	0.2100
39	H21    -0.0194     4.7028     3.5127	H	1	noname	0.2100
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	7	10	1
10	7	11	1
11	8	12	1
12	8	11	1
13	11	13	1
14	12	14	1
15	14	15	1
16	14	16	1
17	15	17	1
18	16	18	1
19	1	19	1
20	3	20	1
21	4	21	1
22	4	22	1
23	5	23	1
24	5	24	1
25	6	25	1
26	7	26	1
27	8	27	1
28	9	28	1
29	10	29	1
30	11	30	1
31	12	31	1
32	13	32	1
33	14	33	1
34	15	34	1
35	15	35	1
36	16	36	1
37	16	37	1
38	17	38	1
39	18	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1