@<TRIPOS>MOLECULE
DB03641
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.3902    -2.6553    -2.3089	P	1	noname	-0.0154
2	O1    -5.7246    -3.1357    -2.5582	O.2	1	noname	-0.2210
3	O2    -4.2126    -1.2715    -2.9609	O.3	1	noname	-0.1707
4	O3    -4.1614    -2.5404    -0.7903	O.3	1	noname	-0.1828
5	N1    -3.3418    -3.6671    -2.9251	N.3	1	noname	0.1587
6	C1    -2.8968    -0.7977    -2.7150	C.3	1	noname	0.0904
7	P2    -3.5242    -5.0886    -2.2553	P	1	noname	-0.0203
8	C2    -2.7203     0.5771    -3.3627	C.3	1	noname	0.1100
9	O4    -2.5699    -6.0096    -2.8163	O.2	1	noname	-0.2224
10	O5    -3.2954    -4.9738    -0.7368	O.3	1	noname	-0.1837
11	O6    -4.9513    -5.6024    -2.5220	O.3	1	noname	-0.1837
12	O7    -3.6675     1.4912    -2.8060	O.3	1	noname	-0.3537
13	C3    -1.3039     1.0948    -3.0853	C.3	1	noname	0.0864
14	C4    -3.0641     2.7453    -3.1367	C.3	1	noname	0.1256
15	O8    -0.5106     0.9530    -4.2545	O.3	1	noname	-0.3900
16	C5    -1.5603     2.5725    -2.8221	C.3	1	noname	0.0167
17	N2    -3.8096     3.8204    -2.5324	N.3	1	noname	0.0562
18	C6    -4.8305     4.3498    -3.2917	C.2	1	noname	0.1086
19	C7    -3.5621     4.2898    -1.2466	C.2	1	noname	-0.0438
20	O9    -5.0681     3.9213    -4.4417	O.2	1	noname	-0.2476
21	N3    -5.5768     5.3613    -2.7455	N.2	1	noname	-0.1288
22	C8    -4.3051     5.3442    -0.6541	C.2	1	noname	0.0227
23	C9    -5.3388     5.8566    -1.4830	C.2	1	noname	0.0410
24	O10    -6.1121     6.8609    -1.0182	O.3	1	noname	-0.2572
25	H1    -4.1038    -3.4192    -0.4080	H	1	noname	0.2273
26	H2    -2.6612    -3.4405    -3.6362	H	1	noname	0.1538
27	H3    -2.8299    -0.6729    -1.6342	H	1	noname	0.0605
28	H4    -2.2355    -1.4985    -3.2246	H	1	noname	0.0605
29	H5    -2.9314     0.5360    -4.4313	H	1	noname	0.0656
30	H6    -3.2378    -5.8525    -0.3545	H	1	noname	0.2273
31	H7    -5.3953    -5.7622    -1.6860	H	1	noname	0.2273
32	H8    -0.7353     0.5660    -2.3203	H	1	noname	0.0630
33	H9    -3.1931     3.0386    -4.1786	H	1	noname	0.0788
34	H10    -0.3826     0.0205    -4.4431	H	1	noname	0.2105
35	H11    -1.4123     2.7511    -1.7571	H	1	noname	0.0335
36	H12    -0.9910     3.1444    -3.5549	H	1	noname	0.0335
37	H13    -2.7583     3.8150    -0.6838	H	1	noname	0.0759
38	H14    -4.1005     5.7256     0.3462	H	1	noname	0.0677
39	H15    -6.1053     6.8521    -0.0583	H	1	noname	0.2199
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	5	7	1
7	8	6	1
8	7	9	2
9	7	10	1
10	7	11	1
11	8	12	1
12	8	13	1
13	12	14	1
14	13	15	1
15	13	16	1
16	14	17	1
17	14	16	1
18	17	18	1
19	17	19	1
20	18	20	2
21	18	21	1
22	19	22	2
23	21	23	2
24	22	23	1
25	23	24	1
26	4	25	1
27	5	26	1
28	6	27	1
29	6	28	1
30	8	29	1
31	10	30	1
32	11	31	1
33	13	32	1
34	14	33	1
35	15	34	1
36	16	35	1
37	16	36	1
38	19	37	1
39	22	38	1
40	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1