@<TRIPOS>MOLECULE
DB03629
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -2.5516    -2.6751     0.5326	P	1	noname	0.0155
2	O1    -3.4492    -2.8258     1.6485	O.2	1	noname	-0.1965
3	O2    -1.7528    -1.3678     0.6892	O.3	1	noname	-0.1511
4	O3    -1.5795    -3.8688     0.4909	O.3	1	noname	-0.1644
5	O4    -3.3626    -2.6275    -0.7757	O.3	1	noname	-0.1644
6	C1    -0.8677    -1.2192    -0.4112	C.3	1	noname	0.0899
7	C2    -0.1104     0.0202    -0.2627	C.2	1	noname	0.0379
8	C3     1.3232     0.0045    -0.1787	C.2	1	noname	0.0534
9	C4    -0.7771     1.2894    -0.1965	C.2	1	noname	0.0554
10	C5     2.0887     1.2098    -0.0325	C.2	1	noname	0.0727
11	C6     1.9748    -1.1877    -0.2393	C.2	1	noname	0.1098
12	N1    -0.0158     2.4399    -0.0552	N.2	1	noname	-0.1790
13	O5     3.4360     1.1766     0.0449	O.3	1	noname	-0.2700
14	C7     1.3732     2.4491     0.0283	C.2	1	noname	0.0860
15	O6     3.0371    -1.3326     0.3429	O.2	1	noname	-0.2992
16	O7    -0.6380     3.5798     0.0029	O.3	1	noname	-0.2381
17	C8     2.0943     3.7100     0.1764	C.3	1	noname	0.0566
18	H1    -1.3620    -4.1358     1.3870	H	1	noname	0.2283
19	H2    -3.5458    -3.5223    -1.0713	H	1	noname	0.2283
20	H3    -0.1565    -2.0425    -0.3450	H	1	noname	0.0629
21	H4    -1.4951    -1.1107    -1.2959	H	1	noname	0.0629
22	H5    -1.8618     1.3797    -0.2535	H	1	noname	0.0860
23	H6     1.6293    -2.0687    -0.7801	H	1	noname	0.1099
24	H7     3.7035     1.1700     0.9669	H	1	noname	0.2183
25	H8     2.2220     3.9332     1.2356	H	1	noname	0.0297
26	H9     3.0722     3.6271    -0.2979	H	1	noname	0.0297
27	H10     1.5271     4.5108    -0.2979	H	1	noname	0.0297
@<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	8	11	1
11	9	12	2
12	10	13	1
13	10	14	2
14	11	15	2
15	12	16	1
16	12	14	1
17	14	17	1
18	4	18	1
19	5	19	1
20	6	20	1
21	6	21	1
22	9	22	1
23	11	23	1
24	13	24	1
25	17	25	1
26	17	26	1
27	17	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1