@<TRIPOS>MOLECULE
DB03801
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.8250    -3.0028    -2.0849	O.2	1	noname	-0.2550
2	C1     3.7257    -2.5048    -2.4104	C.2	1	noname	0.0425
3	O2     3.1884    -2.7849    -3.6168	O.3	1	noname	-0.2128
4	N1     3.0804    -1.6930    -1.5618	N.3	1	noname	-0.0397
5	C2     1.8403    -1.1312    -1.9289	C.3	1	noname	0.0050
6	C3     1.3222    -0.2507    -0.7900	C.3	1	noname	-0.0400
7	C4    -0.0234     0.3589    -1.1883	C.3	1	noname	-0.0501
8	C5    -0.5416     1.2394    -0.0494	C.3	1	noname	-0.0283
9	C6    -1.8872     1.8490    -0.4477	C.3	1	noname	0.0912
10	N2    -2.3823     2.6904     0.6405	N.3	1	noname	-0.3194
11	C7    -2.8464     0.7804    -0.7118	C.2	1	noname	0.1437
12	O3    -3.3751     0.6799    -1.8400	O.2	1	noname	-0.2496
13	O4    -3.1624    -0.0990     0.2625	O.3	1	noname	-0.2140
14	H1     3.1375    -3.7367    -3.7312	H	1	noname	0.2227
15	H2     3.5169    -1.5094    -0.6696	H	1	noname	0.1334
16	H3     2.0559    -0.4897    -2.7833	H	1	noname	0.0433
17	H4     1.1620    -1.9772    -2.0399	H	1	noname	0.0433
18	H5     1.1305    -0.9108     0.0559	H	1	noname	0.0279
19	H6     2.0244     0.5767    -0.6874	H	1	noname	0.0279
20	H7     0.1683     1.0190    -2.0342	H	1	noname	0.0268
21	H8    -0.7256    -0.4685    -1.2908	H	1	noname	0.0268
22	H9    -0.7333     0.5792     0.7965	H	1	noname	0.0288
23	H10     0.1606     2.0667     0.0531	H	1	noname	0.0288
24	H11    -1.8074     2.4629    -1.3448	H	1	noname	0.0571
25	H12    -1.7572     2.9810     1.3787	H	1	noname	0.1191
26	H13    -3.3495     2.9810     0.6542	H	1	noname	0.1191
27	H14    -3.0554    -0.9942    -0.0674	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	9	11	1
11	11	12	2
12	11	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	8	23	1
23	9	24	1
24	10	25	1
25	10	26	1
26	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1