@<TRIPOS>MOLECULE
DB03668
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -5.6041    -1.8677    -1.9541	P	1	noname	0.0149
2	O1    -6.3970    -0.7260    -2.3300	O.2	1	noname	-0.1967
3	O2    -4.4769    -1.4199    -1.0052	O.3	1	noname	-0.1525
4	O3    -6.4965    -2.8998    -1.2399	O.3	1	noname	-0.1645
5	O4    -4.9909    -2.5045    -3.2151	O.3	1	noname	-0.1645
6	C1    -3.6949    -2.5457    -0.6345	C.3	1	noname	0.0914
7	C2    -2.5750    -2.1008     0.3082	C.3	1	noname	0.1127
8	O5    -3.1440    -1.5099     1.4783	O.3	1	noname	-0.3507
9	C3    -1.7448    -3.3202     0.7271	C.3	1	noname	0.1124
10	C4    -2.0733    -1.6419     2.3962	C.3	1	noname	0.1547
11	O6    -0.4809    -3.2769     0.0813	O.3	1	noname	-0.3873
12	C5    -1.5612    -3.0823     2.2149	C.3	1	noname	0.1232
13	N1    -2.4534    -1.2442     3.7698	N.3	1	noname	0.1232
14	O7    -0.1790    -3.1372     2.5360	O.3	1	noname	-0.3860
15	C6    -2.3985     0.2136     4.0810	C.2	1	noname	0.1268
16	C7    -3.1292    -2.1728     4.7415	C.2	1	noname	0.1078
17	O8    -1.4562     0.9698     3.7603	O.2	1	noname	-0.2441
18	N2    -3.5417     0.6244     4.7799	N.2	1	noname	-0.1225
19	O9    -2.6447    -3.2607     5.1212	O.2	1	noname	-0.2808
20	C8    -4.4909    -1.6234     5.2139	C.3	1	noname	0.0868
21	C9    -4.4617    -0.1629     5.2592	C.2	1	noname	0.0642
22	O10    -5.4835     0.4247     5.8533	O.3	1	noname	-0.2571
23	H1    -6.4074    -2.7968    -0.2897	H	1	noname	0.2283
24	H2    -5.0272    -3.4609    -3.1405	H	1	noname	0.2283
25	H3    -4.3681    -3.1961    -0.0759	H	1	noname	0.0605
26	H4    -3.2378    -2.8993    -1.5587	H	1	noname	0.0605
27	H5    -1.9589    -1.3305    -0.1556	H	1	noname	0.0657
28	H6    -2.1461    -4.2957     0.4521	H	1	noname	0.0657
29	H7    -1.3076    -0.8991     2.1723	H	1	noname	0.0817
30	H8     0.2153    -3.2530     0.7418	H	1	noname	0.2106
31	H9    -2.0116    -3.8353     2.8616	H	1	noname	0.0671
32	H10    -0.0721    -3.1415     3.4900	H	1	noname	0.2107
33	H11    -5.2294    -1.8789     4.4541	H	1	noname	0.0449
34	H12    -4.6354    -1.9464     6.2448	H	1	noname	0.0449
35	H13    -5.3781     0.3641     6.8056	H	1	noname	0.2195
@<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	2
18	15	18	1
19	16	19	2
20	16	20	1
21	18	21	2
22	20	21	1
23	21	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	20	33	1
35	20	34	1
36	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1