@<TRIPOS>MOLECULE
DB04123
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -1.4306    -1.4088     0.5949	I	1	noname	-0.0443
2	C1    -0.3528     0.3045     0.2700	C.2	1	noname	-0.0253
3	C2     0.9276     0.4304     0.7961	C.2	1	noname	-0.0351
4	C3    -0.9025     1.3403    -0.4765	C.2	1	noname	-0.0351
5	C4     1.6584     1.5921     0.5757	C.2	1	noname	-0.0470
6	C5    -0.1717     2.5020    -0.6968	C.2	1	noname	-0.0470
7	C6     1.1087     2.6279    -0.1707	C.2	1	noname	-0.0486
8	C7     1.8763     3.8480    -0.4021	C.3	1	noname	0.0464
9	C8     1.6066     4.8031     0.6688	C.2	1	noname	0.0425
10	O1     2.5410     5.2123     1.3913	O.2	1	noname	-0.2947
11	N1     0.3574     5.2411     0.8770	N.3	1	noname	-0.0711
12	C9     0.0970     6.1635     1.9111	C.3	1	noname	0.0826
13	P1    -0.9738     5.5041     2.9794	P	1	noname	0.0189
14	O2    -0.6409     4.2874     3.6741	O.2	1	noname	-0.2641
15	O3    -2.3290     6.1898     3.2336	O.3	1	noname	-0.2226
16	H1     1.3586    -0.3819     1.3814	H	1	noname	0.0633
17	H2    -1.9065     1.2416    -0.8890	H	1	noname	0.0633
18	H3     2.6624     1.6908     0.9883	H	1	noname	0.0626
19	H4    -0.6027     3.3142    -1.2821	H	1	noname	0.0626
20	H5     2.9292     3.5770    -0.3241	H	1	noname	0.0411
21	H6     1.4942     4.2905    -1.3220	H	1	noname	0.0411
22	H7    -0.3681     4.8856     0.2709	H	1	noname	0.1318
23	H8     1.0629     6.2917     2.3996	H	1	noname	0.0559
24	H9    -0.3722     7.0052     1.4017	H	1	noname	0.0559
25	H10    -1.3346     4.5439     3.8724	H	1	noname	0.1434
26	H11    -2.4774     6.2648     4.1791	H	1	noname	0.2235
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	9	10	2
11	9	11	1
12	11	12	1
13	12	13	1
14	13	14	2
15	13	15	1
16	3	16	1
17	4	17	1
18	5	18	1
19	6	19	1
20	8	20	1
21	8	21	1
22	11	22	1
23	12	23	1
24	12	24	1
25	13	25	1
26	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1