@<TRIPOS>MOLECULE
DB01945
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -5.2607    -2.9054    -1.6056	P	1	noname	-0.1256
2	O1    -6.3118    -1.9968    -1.9841	O.2	1	noname	-0.3254
3	O2    -4.2105    -2.1543    -0.7662	O.3	1	noname	-0.2442
4	O3    -5.8533    -4.0583    -0.7742	O.3	1	noname	-0.3540
5	O4    -4.5941    -3.4752    -2.8715	O.3	1	noname	-0.3254
6	C1    -3.1740    -3.0503    -0.3930	C.3	1	noname	0.0807
7	C2    -2.1306    -2.3041     0.4410	C.3	1	noname	0.1121
8	O5    -2.7467    -1.7773     1.6112	O.3	1	noname	-0.3484
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	0.1567
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	0.1257
13	N1    -2.0559    -1.2727     3.7914	N.3	1	noname	-0.0221
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	-0.0022
16	C7    -2.8995    -1.9528     4.5911	C.2	1	noname	-0.0808
17	O8    -0.8862     0.8373     3.8864	O.3	1	noname	-0.8124
18	C8    -2.3524    -0.1177     5.6154	C.2	1	noname	0.0203
19	N2    -3.0706    -1.2451     5.7130	N.2	1	noname	-0.2278
20	C9    -2.2709     0.8813     6.5784	C.2	1	noname	0.0353
21	O9    -2.9039     0.7692     7.6504	O.2	1	noname	-0.2862
22	N3    -1.5137     1.9646     6.3576	N.3	1	noname	-0.0783
23	H1    -5.7531    -3.8633     0.1604	H	1	noname	0.1815
24	H2    -3.6488    -3.7939     0.2471	H	1	noname	0.0596
25	H3    -2.7035    -3.3561    -1.3274	H	1	noname	0.0596
26	H4    -1.7267    -1.4582    -0.1155	H	1	noname	0.0657
27	H5    -1.2457    -4.3321     0.6773	H	1	noname	0.0657
28	H6    -1.0330    -0.7670     2.2197	H	1	noname	0.0852
29	H7     0.8685    -2.8514     0.8184	H	1	noname	0.2106
30	H8    -1.1142    -3.7374     3.0840	H	1	noname	0.0674
31	H9     0.6675    -2.6850     3.5810	H	1	noname	0.2107
32	H10    -3.3647    -2.9130     4.3683	H	1	noname	0.1016
33	H11    -0.5114     1.8717     6.2744	H	1	noname	0.1275
34	H12    -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	6	24	1
26	6	25	1
27	7	26	1
28	9	27	1
29	10	28	1
30	11	29	1
31	12	30	1
32	14	31	1
33	16	32	1
34	22	33	1
35	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1