@<TRIPOS>MOLECULE
DB06716
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -3.9905    -1.3020    -1.3366	P	1	noname	0.0217
2	O1    -4.8281    -2.4515    -1.5616	O.2	1	noname	-0.1950
3	O2    -2.6914    -1.7425    -0.6366	O.3	1	noname	-0.1348
4	O3    -3.6487    -0.6439    -2.6863	O.3	1	noname	-0.1635
5	O4    -4.7357    -0.2902    -0.4463	O.3	1	noname	-0.1635
6	C1    -1.8655    -0.6089    -0.4148	C.3	1	noname	0.1672
7	O5    -0.6676    -1.0150     0.2306	O.3	1	noname	-0.2554
8	C2     0.1176     0.0627     0.4415	C.2	1	noname	-0.0093
9	C3     1.0422     0.4482    -0.5221	C.2	1	noname	-0.0256
10	C4     0.0015     0.7868     1.6223	C.2	1	noname	-0.0256
11	C5     1.8507     1.5578    -0.3049	C.2	1	noname	-0.0637
12	C6     1.1641    -0.3124    -1.7624	C.3	1	noname	0.0214
13	C7     0.8100     1.8964     1.8395	C.2	1	noname	-0.0637
14	C8    -0.9696     0.3818     2.6345	C.3	1	noname	0.0214
15	C9     1.7346     2.2819     0.8758	C.2	1	noname	-0.0736
16	C10     2.2007    -1.4228    -1.5799	C.3	1	noname	-0.0586
17	C11     1.6090     0.6201    -2.8908	C.3	1	noname	-0.0586
18	C12    -0.3149    -0.6044     3.6038	C.3	1	noname	-0.0586
19	C13    -1.4466     1.6143     3.4056	C.3	1	noname	-0.0586
20	H1    -3.4827    -1.3254    -3.3417	H	1	noname	0.2283
21	H2    -4.5802    -0.5013     0.4772	H	1	noname	0.2283
22	H3    -1.5811    -0.2299    -1.3964	H	1	noname	0.0896
23	H4    -2.3971     0.0357     0.2852	H	1	noname	0.0896
24	H5     2.5757     1.8601    -1.0606	H	1	noname	0.0626
25	H6     0.1815    -0.7335    -1.9751	H	1	noname	0.0347
26	H7     0.7190     2.4642     2.7654	H	1	noname	0.0626
27	H8    -1.8001    -0.0888     2.1082	H	1	noname	0.0347
28	H9     2.3686     3.1521     1.0461	H	1	noname	0.0622
29	H10     2.3632    -1.5969    -0.5162	H	1	noname	0.0236
30	H11     1.8381    -2.3386    -2.0467	H	1	noname	0.0236
31	H12     3.1393    -1.1240    -2.0467	H	1	noname	0.0236
32	H13     1.9443     0.0268    -3.7415	H	1	noname	0.0236
33	H14     0.7718     1.2489    -3.1939	H	1	noname	0.0236
34	H15     2.4277     1.2489    -2.5411	H	1	noname	0.0236
35	H16    -0.5195    -0.2962     4.6291	H	1	noname	0.0236
36	H17    -0.7208    -1.6020     3.4365	H	1	noname	0.0236
37	H18     0.7621    -0.6175     3.4365	H	1	noname	0.0236
38	H19    -1.3730     1.4239     4.4763	H	1	noname	0.0236
39	H20    -0.8233     2.4696     3.1449	H	1	noname	0.0236
40	H21    -2.4833     1.8272     3.1449	H	1	noname	0.0236
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	1	5	1
5	3	6	1
6	6	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	9	11	1
11	9	12	1
12	10	13	2
13	10	14	1
14	11	15	2
15	12	16	1
16	12	17	1
17	13	15	1
18	14	18	1
19	14	19	1
20	4	20	1
21	5	21	1
22	6	22	1
23	6	23	1
24	11	24	1
25	12	25	1
26	13	26	1
27	14	27	1
28	15	28	1
29	16	29	1
30	16	30	1
31	16	31	1
32	17	32	1
33	17	33	1
34	17	34	1
35	18	35	1
36	18	36	1
37	18	37	1
38	19	38	1
39	19	39	1
40	19	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1