@<TRIPOS>MOLECULE
76961788
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1    -0.7528     1.7672    -2.3749	P	1	noname	0.0165
2	P2    -2.4330     2.1517     1.4516	P	1	noname	0.0165
3	P3     2.1642    -2.1570    -1.6417	P	1	noname	0.0165
4	O1     0.4281     1.4000    -1.3585	O.3	1	noname	-0.1482
5	O2    -1.0403     1.7056     0.8371	O.3	1	noname	-0.1483
6	O3     1.9071    -1.6682    -0.1722	O.3	1	noname	-0.1483
7	O4    -1.8716    -0.6150     2.5500	O.3	1	noname	-0.3873
8	O5     2.0145     1.5275     1.6153	O.3	1	noname	-0.3873
9	O6     0.8848    -1.4538     3.1604	O.3	1	noname	-0.3874
10	O7    -0.3083     3.0644    -3.1581	O.3	1	noname	-0.1643
11	O8    -0.9285     0.5586    -3.3818	O.3	1	noname	-0.1643
12	O9    -2.0079     2.0222    -1.6620	O.2	1	noname	-0.1963
13	O10    -2.2564     1.9208     2.9950	O.3	1	noname	-0.1643
14	O11    -2.6578     3.6507     1.1792	O.3	1	noname	-0.1643
15	O12    -3.5081     1.3253     0.9670	O.2	1	noname	-0.1963
16	O13     2.4219    -3.6753    -1.6399	O.3	1	noname	-0.1643
17	O14     3.3927    -1.4285    -2.2175	O.3	1	noname	-0.1643
18	O15     1.0103    -1.8669    -2.4528	O.2	1	noname	-0.1963
19	C1     0.2452     0.1847    -0.5927	C.3	1	noname	0.1328
20	C2    -0.9367     0.3045     0.4411	C.3	1	noname	0.1316
21	C3     1.6453    -0.2436    -0.0046	C.3	1	noname	0.1316
22	C4    -0.7607    -0.6403     1.6535	C.3	1	noname	0.1124
23	C5     1.7791     0.1180     1.5084	C.3	1	noname	0.1124
24	C6     0.5596    -0.3031     2.4005	C.3	1	noname	0.1112
25	H1    -0.0436    -0.6134    -1.2786	H	1	noname	0.0671
26	H2    -1.8384    -0.0053    -0.1148	H	1	noname	0.0671
27	H3     2.4615     0.3048    -0.5066	H	1	noname	0.0671
28	H4    -0.7497    -1.6579     1.2653	H	1	noname	0.0657
29	H5     2.6911    -0.3467     1.9027	H	1	noname	0.0657
30	H6     0.3833     0.5130     3.1160	H	1	noname	0.0657
31	H7    -1.7045    -1.2298     3.2947	H	1	noname	0.2106
32	H8     2.1013     1.7735     2.5599	H	1	noname	0.2106
33	H9     1.7157    -1.2944     3.6551	H	1	noname	0.2106
34	H10    -0.0727     3.7519    -2.5309	H	1	noname	0.2283
35	H11    -1.0468    -0.2555    -2.8869	H	1	noname	0.2283
36	H12    -2.2355     0.9785     3.1772	H	1	noname	0.2283
37	H13    -2.7282     4.1205     2.0134	H	1	noname	0.2283
38	H14     2.4752    -3.9898    -0.7344	H	1	noname	0.2283
39	H15     3.9391    -1.1045    -1.4977	H	1	noname	0.2283
@<TRIPOS>BOND
1	1	4	1
2	1	10	1
3	1	11	1
4	1	12	2
5	2	5	1
6	2	13	1
7	2	14	1
8	2	15	2
9	3	6	1
10	3	16	1
11	3	17	1
12	3	18	2
13	4	19	1
14	20	5	1
15	21	6	1
16	22	7	1
17	7	31	1
18	23	8	1
19	8	32	1
20	9	24	1
21	9	33	1
22	19	20	1
23	19	21	1
24	19	25	1
25	20	22	1
26	20	26	1
27	21	23	1
28	21	27	1
29	22	24	1
30	22	28	1
31	23	24	1
32	23	29	1
33	24	30	1
34	10	34	1
35	11	35	1
36	13	36	1
37	14	37	1
38	16	38	1
39	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1