@<TRIPOS>MOLECULE
DB03525
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     3.0175     1.3005    -1.6192	P	1	noname	0.0294
2	O1     3.5844     1.3562    -2.9417	O.2	1	noname	-0.1933
3	O2     2.3328    -0.0631    -1.4112	O.3	1	noname	-0.1180
4	O3     1.9790     2.4262    -1.4581	O.3	1	noname	-0.1624
5	O4     4.1343     1.4789    -0.5740	O.3	1	noname	-0.1624
6	C1     1.8012    -0.1153    -0.1713	C.2	1	noname	-0.0069
7	C2     0.4599     0.3174     0.0784	C.2	1	noname	0.0078
8	C3     2.5581    -0.6046     0.9377	C.2	1	noname	-0.0233
9	N1    -0.4097     0.6087    -0.9587	N.3	1	noname	-0.1310
10	C4    -0.0431     0.3351     1.4260	C.2	1	noname	-0.0524
11	C5     2.0025    -0.6731     2.2511	C.2	1	noname	-0.0803
12	C6    -1.8389     0.8091    -0.8230	C.3	1	noname	0.0004
13	C7     0.6913    -0.2045     2.5223	C.2	1	noname	-0.0636
14	C8    -1.3603     0.9398     1.7086	C.3	1	noname	0.0113
15	C9    -2.3948     0.5809     0.6136	C.3	1	noname	-0.0361
16	H1     1.8274     2.5905    -0.5245	H	1	noname	0.2283
17	H2     3.7598     1.4191     0.3079	H	1	noname	0.2283
18	H3     3.5848    -0.9337     0.7778	H	1	noname	0.0651
19	H4     0.0241     0.6792    -1.8680	H	1	noname	0.1282
20	H5     2.5930    -1.0928     3.0655	H	1	noname	0.0623
21	H6    -1.9850     1.8634    -1.0580	H	1	noname	0.0432
22	H7    -2.2787     0.0425    -1.4609	H	1	noname	0.0432
23	H8     0.2681    -0.2565     3.5255	H	1	noname	0.0626
24	H9    -1.6993     0.4785     2.6361	H	1	noname	0.0317
25	H10    -1.2019     2.0172     1.6619	H	1	noname	0.0317
26	H11    -3.2199     1.2825     0.7368	H	1	noname	0.0283
27	H12    -2.5720    -0.4906     0.7058	H	1	noname	0.0283
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	2
11	9	12	1
12	10	13	2
13	10	14	1
14	11	13	1
15	12	15	1
16	14	15	1
17	4	16	1
18	5	17	1
19	8	18	1
20	9	19	1
21	11	20	1
22	12	21	1
23	12	22	1
24	13	23	1
25	14	24	1
26	14	25	1
27	15	26	1
28	15	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1