@<TRIPOS>MOLECULE
DB01643
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -4.7344    -3.2084    -2.0397	P	1	noname	0.0149
2	O1    -5.6171    -2.3667    -2.8051	O.2	1	noname	-0.1967
3	O2    -3.8681    -2.3353    -1.1129	O.3	1	noname	-0.1525
4	O3    -5.5665    -4.1882    -1.1917	O.3	1	noname	-0.1645
5	O4    -3.8244    -4.0018    -2.9958	O.3	1	noname	-0.1645
6	C1    -2.9976    -3.1653    -0.3581	C.3	1	noname	0.0913
7	C2    -2.1369    -2.2979     0.5627	C.3	1	noname	0.1100
8	O5    -2.9814    -1.5616     1.4500	O.3	1	noname	-0.3537
9	C3    -1.2068    -3.1952     1.3879	C.3	1	noname	0.0864
10	C4    -2.0576    -1.2229     2.4884	C.3	1	noname	0.1250
11	O6     0.1088    -3.1280     0.8577	O.3	1	noname	-0.3900
12	C5    -1.2417    -2.5103     2.7474	C.3	1	noname	0.0167
13	N1    -2.7560    -0.5799     3.5727	N.3	1	noname	0.0361
14	C6    -2.8533     0.7927     3.4996	C.2	1	noname	0.0298
15	C7    -3.3411    -1.2799     4.6228	C.2	1	noname	-0.0377
16	O7    -2.3435     1.4260     2.5501	O.2	1	noname	-0.2798
17	N2    -3.5272     1.4412     4.5015	N.3	1	noname	0.0797
18	C8    -4.0342    -0.6410     5.6840	C.2	1	noname	0.0437
19	C9    -4.0977     0.7729     5.5616	C.2	1	noname	0.0638
20	C10    -4.6281    -1.3709     6.8003	C.3	1	noname	-0.0339
21	O8    -4.6902     1.4309     6.4440	O.2	1	noname	-0.2887
22	H1    -5.4168    -4.0120    -0.2600	H	1	noname	0.2283
23	H2    -3.2118    -4.5360    -2.4849	H	1	noname	0.2283
24	H3    -3.6484    -3.7777     0.2661	H	1	noname	0.0605
25	H4    -2.3405    -3.6378    -1.0883	H	1	noname	0.0605
26	H5    -1.5781    -1.5564    -0.0083	H	1	noname	0.0656
27	H6    -1.4334    -4.2614     1.3853	H	1	noname	0.0630
28	H7    -1.3854    -0.4033     2.2342	H	1	noname	0.0788
29	H8     0.7428    -3.0957     1.5778	H	1	noname	0.2105
30	H9    -1.8127    -3.1451     3.4249	H	1	noname	0.0335
31	H10    -0.2215    -2.2219     3.0007	H	1	noname	0.0335
32	H11    -3.2535    -2.3663     4.6137	H	1	noname	0.0762
33	H12    -3.6061     2.4472     4.4571	H	1	noname	0.1418
34	H13    -4.5346    -2.4426     6.6245	H	1	noname	0.0282
35	H14    -4.1108    -1.1076     7.7229	H	1	noname	0.0282
36	H15    -5.6822    -1.1076     6.8869	H	1	noname	0.0282
@<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	13	14	1
15	13	15	1
16	14	16	2
17	14	17	1
18	15	18	2
19	17	19	1
20	18	20	1
21	18	19	1
22	19	21	2
23	4	22	1
24	5	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	12	31	1
33	15	32	1
34	17	33	1
35	20	34	1
36	20	35	1
37	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1