@<TRIPOS>MOLECULE
DB01700
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -5.2607    -2.9054    -1.6056	P	1	noname	0.0149
2	O1    -6.3118    -1.9968    -1.9841	O.2	1	noname	-0.1967
3	O2    -4.2105    -2.1543    -0.7662	O.3	1	noname	-0.1525
4	O3    -5.8533    -4.0583    -0.7742	O.3	1	noname	-0.1645
5	O4    -4.5941    -3.4752    -2.8715	O.3	1	noname	-0.1645
6	C1    -3.1740    -3.0503    -0.3930	C.3	1	noname	0.0914
7	C2    -2.1306    -2.3041     0.4410	C.3	1	noname	0.1130
8	O5    -2.7467    -1.7773     1.6112	O.3	1	noname	-0.3483
9	C3    -1.0433    -3.2831     0.8931	C.3	1	noname	0.1127
10	C4    -1.6344    -1.6373     2.4822	C.3	1	noname	0.1585
11	O6     0.1603    -3.0113     0.1903	O.3	1	noname	-0.3873
12	C5    -0.8545    -2.9529     2.3733	C.3	1	noname	0.1258
13	N1    -2.0559    -1.2727     3.7914	N.3	1	noname	-0.0138
14	O7     0.5205    -2.7109     2.6327	O.3	1	noname	-0.3857
15	C6    -1.7008    -0.1184     4.3819	C.2	1	noname	0.0050
16	C7    -2.8995    -1.9528     4.5911	C.2	1	noname	-0.0695
17	N2    -0.8923     0.8302     3.8900	N.3	1	noname	-0.1225
18	C8    -2.3524    -0.1177     5.6154	C.2	1	noname	0.0330
19	N3    -3.0706    -1.2451     5.7130	N.2	1	noname	-0.2193
20	C9    -2.2709     0.8813     6.5784	C.2	1	noname	0.0409
21	O8    -2.9039     0.7692     7.6504	O.2	1	noname	-0.2843
22	N4    -1.5137     1.9646     6.3576	N.3	1	noname	-0.0768
23	H1    -5.7531    -3.8633     0.1604	H	1	noname	0.2283
24	H2    -4.6116    -4.4345    -2.8382	H	1	noname	0.2283
25	H3    -3.6488    -3.7939     0.2471	H	1	noname	0.0605
26	H4    -2.7035    -3.3561    -1.3274	H	1	noname	0.0605
27	H5    -1.7267    -1.4582    -0.1155	H	1	noname	0.0657
28	H6    -1.2457    -4.3321     0.6773	H	1	noname	0.0657
29	H7    -1.0330    -0.7670     2.2197	H	1	noname	0.0853
30	H8     0.8685    -2.8514     0.8184	H	1	noname	0.2106
31	H9    -1.1142    -3.7374     3.0840	H	1	noname	0.0674
32	H10     0.6675    -2.6850     3.5810	H	1	noname	0.2107
33	H11    -3.3647    -2.9130     4.3683	H	1	noname	0.1016
34	H12     0.0782     0.6204     3.7047	H	1	noname	0.1256
35	H13    -1.2533     1.7551     3.7047	H	1	noname	0.1256
36	H14    -0.5114     1.8717     6.2744	H	1	noname	0.1275
37	H15    -1.9452     2.8739     6.2744	H	1	noname	0.1275
@<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	1
18	15	18	2
19	16	19	2
20	18	20	1
21	18	19	1
22	20	21	2
23	20	22	1
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	14	32	1
34	16	33	1
35	17	34	1
36	17	35	1
37	22	36	1
38	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1