@<TRIPOS>MOLECULE
DB03757
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3795    -0.8068     0.5270	O.3	1	noname	-0.2121
2	C1     2.2858    -0.3857     1.7745	C.2	1	noname	0.0349
3	C2     2.8319    -2.1527     0.5145	C.3	1	noname	0.0703
4	O2     3.3216     0.1892     2.3566	O.3	1	noname	-0.2265
5	N1     1.1947    -0.5342     2.4172	N.2	1	noname	-0.1752
6	C3     2.9406    -2.6408    -0.9315	C.3	1	noname	-0.0357
7	C4     4.2046    -2.2356     1.1852	C.3	1	noname	-0.0357
8	C5     1.8382    -3.0319     1.2762	C.3	1	noname	-0.0357
9	C6     1.0971    -0.0956     3.7167	C.3	1	noname	0.1158
10	C7     0.7900    -1.2005     4.5710	C.2	1	noname	0.0336
11	C8    -0.0131     0.9522     3.8192	C.3	1	noname	-0.0346
12	O3     1.6148    -2.2286     4.6425	O.3	1	noname	-0.2583
13	N2    -0.2805    -1.1926     5.2635	N.2	1	noname	-0.2144
14	C9    -0.5757    -2.2551     6.0849	C.3	1	noname	0.1132
15	C10    -0.6861    -3.5313     5.2483	C.2	1	noname	0.0240
16	C11    -1.8180    -2.0123     6.7502	C.3	1	noname	-0.0347
17	O4    -0.3757    -4.6985     5.7808	O.3	1	noname	-0.2602
18	N3    -1.0779    -3.4674     4.0366	N.2	1	noname	-0.2348
19	H1     3.2238     0.1349     3.3100	H	1	noname	0.2220
20	H2     2.9418    -3.7307    -0.9480	H	1	noname	0.0259
21	H3     2.0912    -2.2698    -1.5050	H	1	noname	0.0259
22	H4     3.8661    -2.2698    -1.3717	H	1	noname	0.0259
23	H5     4.0808    -2.2281     2.2681	H	1	noname	0.0259
24	H6     4.7018    -3.1572     0.8827	H	1	noname	0.0259
25	H7     4.8090    -1.3805     0.8827	H	1	noname	0.0259
26	H8     1.9854    -2.9017     2.3483	H	1	noname	0.0259
27	H9     0.8208    -2.7437     1.0115	H	1	noname	0.0259
28	H10     2.0003    -4.0768     1.0115	H	1	noname	0.0259
29	H11     2.0885     0.2769     3.9742	H	1	noname	0.0639
30	H12    -0.2267     1.1538     4.8689	H	1	noname	0.0257
31	H13     0.3091     1.8719     3.3309	H	1	noname	0.0257
32	H14    -0.9127     0.5775     3.3309	H	1	noname	0.0257
33	H15     1.7841    -2.4395     5.5637	H	1	noname	0.2196
34	H16     0.2188    -2.2768     6.8308	H	1	noname	0.0638
35	H17    -1.6644    -2.0424     7.8289	H	1	noname	0.0257
36	H18    -2.1977    -1.0314     6.4645	H	1	noname	0.0257
37	H19    -2.5390    -2.7783     6.4645	H	1	noname	0.0257
38	H20    -0.3943    -4.6286     6.7381	H	1	noname	0.2196
39	H21    -1.1961    -4.4016     3.6713	H	1	noname	0.1895
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	1
6	3	7	1
7	3	8	1
8	9	5	1
9	9	10	1
10	9	11	1
11	10	12	1
12	10	13	2
13	14	13	1
14	14	15	1
15	14	16	1
16	15	17	1
17	15	18	2
18	4	19	1
19	6	20	1
20	6	21	1
21	6	22	1
22	7	23	1
23	7	24	1
24	7	25	1
25	8	26	1
26	8	27	1
27	8	28	1
28	9	29	1
29	11	30	1
30	11	31	1
31	11	32	1
32	12	33	1
33	14	34	1
34	16	35	1
35	16	36	1
36	16	37	1
37	17	38	1
38	18	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1