@<TRIPOS>MOLECULE
DB04603
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.6976    -3.2320    -1.9853	P	1	noname	0.0149
2	O1    -5.5450    -2.4225    -2.8221	O.2	1	noname	-0.1967
3	O2    -3.8371    -2.3202    -1.0911	O.3	1	noname	-0.1525
4	O3    -5.5691    -4.1435    -1.1013	O.3	1	noname	-0.1645
5	O4    -3.7805    -4.0982    -2.8686	O.3	1	noname	-0.1645
6	C1    -3.0016    -3.1185    -0.2659	C.3	1	noname	0.0913
7	C2    -2.1467    -2.2125     0.6225	C.3	1	noname	0.1100
8	O5    -2.9978    -1.4086     1.4423	O.3	1	noname	-0.3537
9	C3    -1.2545    -3.0748     1.5236	C.3	1	noname	0.0864
10	C4    -2.0930    -1.0243     2.4815	C.3	1	noname	0.1244
11	O6     0.0746    -3.0636     1.0237	O.3	1	noname	-0.3900
12	C5    -1.3089    -2.3081     2.8380	C.3	1	noname	0.0166
13	N1    -2.8047    -0.3043     3.5071	N.3	1	noname	0.0249
14	C6    -2.8734     1.0629     3.3491	C.2	1	noname	-0.0049
15	C7    -3.4287    -0.9286     4.5822	C.2	1	noname	-0.0252
16	O7    -2.2849     1.6734     2.2987	O.3	1	noname	-0.2484
17	N2    -3.5585     1.7831     4.2928	N.2	1	noname	-0.1684
18	C8    -4.1346    -0.2142     5.5852	C.2	1	noname	0.0732
19	C9    -4.1675     1.1906     5.3764	C.2	1	noname	0.0732
20	C10    -4.7260    -0.8197     6.6497	C.2	1	noname	0.1208
21	N3    -4.7946     1.9432     6.2386	N.2	1	noname	-0.2292
22	O8    -4.2606    -1.8540     7.0992	O.2	1	noname	-0.2969
23	H1    -5.3911    -3.9574    -0.1765	H	1	noname	0.2283
24	H2    -3.2125    -4.6347    -2.3107	H	1	noname	0.2283
25	H3    -3.6791    -3.6800     0.3773	H	1	noname	0.0605
26	H4    -2.3364    -3.6461    -0.9495	H	1	noname	0.0605
27	H5    -1.5598    -1.5172     0.0223	H	1	noname	0.0656
28	H6    -1.5017    -4.1349     1.5794	H	1	noname	0.0630
29	H7    -1.3990    -0.2339     2.1956	H	1	noname	0.0787
30	H8     0.6927    -3.0584     1.7583	H	1	noname	0.2105
31	H9    -1.9085    -2.8903     3.5378	H	1	noname	0.0335
32	H10    -0.2897    -2.0234     3.0993	H	1	noname	0.0335
33	H11    -3.3621    -2.0150     4.6407	H	1	noname	0.0766
34	H12    -1.9453     1.0108     1.6926	H	1	noname	0.2209
35	H13    -5.6150    -0.4590     7.1671	H	1	noname	0.1099
36	H14    -4.5536     1.6540     7.1758	H	1	noname	0.1894
@<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	13	14	1
15	13	15	1
16	14	16	1
17	14	17	2
18	15	18	2
19	17	19	1
20	18	20	1
21	18	19	1
22	19	21	2
23	20	22	2
24	4	23	1
25	5	24	1
26	6	25	1
27	6	26	1
28	7	27	1
29	9	28	1
30	10	29	1
31	11	30	1
32	12	31	1
33	12	32	1
34	15	33	1
35	16	34	1
36	20	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1