@<TRIPOS>MOLECULE
DB03592
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     5.5652     1.1790    -0.7480	P	1	noname	0.0159
2	O1     6.1632     0.6047    -1.9253	O.2	1	noname	-0.1964
3	O2     4.0330     1.0515    -0.8362	O.3	1	noname	-0.1500
4	O3     6.0713     0.4333     0.5007	O.3	1	noname	-0.1644
5	O4     5.9517     2.6665    -0.6494	O.3	1	noname	-0.1644
6	C1     3.4433     1.6178     0.3248	C.3	1	noname	0.1062
7	C2     1.9907     1.4969     0.2412	C.2	1	noname	0.0567
8	N1     1.4032     0.2652     0.1454	N.2	1	noname	-0.1776
9	C3     1.1753     2.6508     0.2584	C.2	1	noname	0.0603
10	C4     0.0485     0.1036     0.0648	C.2	1	noname	0.1164
11	N2    -0.1846     2.4962     0.1780	N.2	1	noname	-0.1840
12	C5    -0.8014     1.2716     0.0809	C.2	1	noname	0.1245
13	C6    -0.5638    -1.1637    -0.0342	C.2	1	noname	0.0916
14	N3    -2.1588     1.1543     0.0025	N.2	1	noname	-0.1798
15	O5     0.1136    -2.2140    -0.0533	O.2	1	noname	-0.2748
16	N4    -1.9190    -1.1952    -0.1080	N.3	1	noname	0.0513
17	C7    -2.7346    -0.0884    -0.0933	C.2	1	noname	-0.0737
18	N5    -4.0659    -0.2201    -0.1710	N.3	1	noname	-0.1230
19	H1     6.0118    -0.5136     0.3540	H	1	noname	0.2283
20	H2     6.0174     2.9195     0.2743	H	1	noname	0.2283
21	H3     3.7710     1.0048     1.1644	H	1	noname	0.0645
22	H4     3.6811     2.6813     0.3010	H	1	noname	0.0645
23	H5     1.5931     3.6548     0.3333	H	1	noname	0.0860
24	H6    -2.3507    -2.1056    -0.1787	H	1	noname	0.1400
25	H7    -4.6536     0.6007    -0.2003	H	1	noname	0.1268
26	H8    -4.4815    -1.1401    -0.2003	H	1	noname	0.1268
@<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	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	10	13	1
13	11	12	1
14	12	14	1
15	13	15	2
16	13	16	1
17	14	17	2
18	16	17	1
19	17	18	1
20	4	19	1
21	5	20	1
22	6	21	1
23	6	22	1
24	9	23	1
25	16	24	1
26	18	25	1
27	18	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1