@<TRIPOS>MOLECULE
DB01647
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.0925    -2.1628    -1.9736	O.2	1	noname	-0.2524
2	C1    -2.1595    -2.0630    -1.1477	C.2	1	noname	0.0508
3	O2    -2.2837    -1.5863     0.1975	O.3	1	noname	-0.1922
4	N1    -0.7689    -2.4120    -1.3943	N.3	1	noname	-0.0354
5	C2    -0.9445    -1.4836     0.7364	C.3	1	noname	0.1145
6	C3    -0.2842    -2.6364    -0.0450	C.3	1	noname	0.0389
7	C4    -0.4377    -0.0687     0.5078	C.2	1	noname	-0.0428
8	C5    -0.9500    -1.9032     2.2220	C.3	1	noname	-0.0295
9	C6     0.8145     0.1696    -0.1711	C.2	1	noname	-0.0086
10	C7    -1.2771     1.0510     0.8580	C.2	1	noname	-0.0496
11	C8     1.1915     1.4761    -0.5817	C.2	1	noname	0.0291
12	C9    -0.9158     2.3734     0.4614	C.2	1	noname	-0.0184
13	O3     2.3411     1.6932    -1.2553	O.3	1	noname	-0.2646
14	C10     0.3097     2.5521    -0.2559	C.2	1	noname	0.0262
15	C11     2.0986     1.5912    -2.6507	C.3	1	noname	0.0532
16	O4     0.6495     3.7996    -0.6442	O.3	1	noname	-0.2673
17	C12     3.4015     1.8373    -3.4141	C.3	1	noname	-0.0319
18	C13     1.4187     4.4197     0.3758	C.3	1	noname	0.0424
19	C14     3.1402     1.7274    -4.9176	C.3	1	noname	-0.0632
20	H1    -0.2715    -2.4804    -2.2706	H	1	noname	0.1335
21	H2    -0.6996    -3.5843     0.2970	H	1	noname	0.0467
22	H3     0.7955    -2.4874    -0.0577	H	1	noname	0.0467
23	H4    -0.9502    -2.9910     2.2922	H	1	noname	0.0264
24	H5    -0.0618    -1.5075     2.7146	H	1	noname	0.0264
25	H6    -1.8417    -1.5075     2.7080	H	1	noname	0.0264
26	H7     1.4927    -0.6581    -0.3789	H	1	noname	0.0655
27	H8    -2.1933     0.8964     1.4278	H	1	noname	0.0627
28	H9    -1.5572     3.2220     0.6995	H	1	noname	0.0651
29	H10     1.7989     0.5568    -2.8189	H	1	noname	0.0571
30	H11     1.4107     2.4032    -2.8864	H	1	noname	0.0571
31	H12     3.6899     2.8703    -3.2195	H	1	noname	0.0287
32	H13     4.0782     1.0239    -3.1520	H	1	noname	0.0287
33	H14     1.8857     3.6539     0.9950	H	1	noname	0.0535
34	H15     2.1910     5.0406    -0.0783	H	1	noname	0.0535
35	H16     0.7699     5.0406     0.9934	H	1	noname	0.0535
36	H17     3.0908     0.6763    -5.2019	H	1	noname	0.0231
37	H18     2.1950     2.2139    -5.1586	H	1	noname	0.0231
38	H19     3.9487     2.2139    -5.4634	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	8	1
8	5	6	1
9	7	9	2
10	7	10	1
11	9	11	1
12	10	12	2
13	11	13	1
14	11	14	2
15	12	14	1
16	13	15	1
17	14	16	1
18	15	17	1
19	16	18	1
20	17	19	1
21	4	20	1
22	6	21	1
23	6	22	1
24	8	23	1
25	8	24	1
26	8	25	1
27	9	26	1
28	10	27	1
29	12	28	1
30	15	29	1
31	15	30	1
32	17	31	1
33	17	32	1
34	18	33	1
35	18	34	1
36	18	35	1
37	19	36	1
38	19	37	1
39	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1