@<TRIPOS>MOLECULE
DB03079
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     4.1913    -0.3513     3.5813	P	1	noname	0.0149
2	O1     3.1278    -0.3197     4.5516	O.2	1	noname	-0.1967
3	O2     3.6683    -0.9582     2.2661	O.3	1	noname	-0.1525
4	O3     4.6924     1.0816     3.3220	O.3	1	noname	-0.1645
5	O4     5.3506    -1.2113     4.1181	O.3	1	noname	-0.1645
6	C1     4.7171    -0.9894     1.3092	C.3	1	noname	0.0914
7	C2     4.1975    -1.5923     0.0025	C.3	1	noname	0.1130
8	O5     3.1401    -0.8079    -0.4872	O.3	1	noname	-0.3483
9	C3     5.3017    -1.5398    -1.0589	C.3	1	noname	0.1127
10	C4     3.8265     0.2696    -1.0978	C.3	1	noname	0.1577
11	O6     5.2922    -2.7438    -1.8117	O.3	1	noname	-0.3873
12	C5     4.9066    -0.3749    -1.9588	C.3	1	noname	0.1257
13	N1     2.9112     1.0848    -1.8267	N.3	1	noname	-0.0193
14	O7     4.3238    -0.8757    -3.1529	O.3	1	noname	-0.3857
15	C6     2.0734     0.6947    -2.8083	C.2	1	noname	-0.0486
16	C7     2.6845     2.3914    -1.5634	C.2	1	noname	-0.0339
17	C8     1.2902     1.8233    -3.1301	C.2	1	noname	0.0105
18	C9     1.9018    -0.5649    -3.4670	C.2	1	noname	-0.0312
19	N2     1.6936     2.8482    -2.3665	N.2	1	noname	-0.2297
20	C10     0.2636     1.7625    -4.1182	C.2	1	noname	-0.0107
21	C11     0.8824    -0.6404    -4.4568	C.2	1	noname	-0.0471
22	C12     0.0767     0.4996    -4.7676	C.2	1	noname	-0.0439
23	H1     4.8469     1.5232     4.1603	H	1	noname	0.2283
24	H2     5.3380    -1.2020     5.0780	H	1	noname	0.2283
25	H3     4.9712     0.0539     1.1222	H	1	noname	0.0605
26	H4     5.4653    -1.6674     1.7199	H	1	noname	0.0605
27	H5     3.8033    -2.5942     0.1726	H	1	noname	0.0657
28	H6     6.3149    -1.4783    -0.6618	H	1	noname	0.0657
29	H7     4.2233     0.9593    -0.3528	H	1	noname	0.0852
30	H8     5.2863    -3.4949    -1.2138	H	1	noname	0.2106
31	H9     5.7083     0.2709    -2.3173	H	1	noname	0.0674
32	H10     4.3325    -1.8355    -3.1352	H	1	noname	0.2107
33	H11     3.2174     2.9839    -0.8197	H	1	noname	0.1016
34	H12     2.5205    -1.4292    -3.2254	H	1	noname	0.0643
35	H13    -0.3445     2.6332    -4.3635	H	1	noname	0.0645
36	H14     0.7170    -1.5810    -4.9823	H	1	noname	0.0623
37	H15    -0.7038     0.4031    -5.5224	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	7	6	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	1
13	10	12	1
14	12	14	1
15	13	15	1
16	13	16	1
17	15	17	2
18	15	18	1
19	16	19	2
20	17	20	1
21	17	19	1
22	18	21	2
23	20	22	2
24	21	22	1
25	4	23	1
26	5	24	1
27	6	25	1
28	6	26	1
29	7	27	1
30	9	28	1
31	10	29	1
32	11	30	1
33	12	31	1
34	14	32	1
35	16	33	1
36	18	34	1
37	20	35	1
38	21	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1