@<TRIPOS>MOLECULE
71312249
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	P1     7.3861    -2.2638     2.2682	P	1	noname	0.0149
2	O1     4.4851    -4.3652     0.0009	O.3	1	noname	-0.3483
3	O2     1.0413    -4.8432     0.6304	O.3	1	noname	-0.3857
4	O3     1.8162    -2.4490     0.2312	O.3	1	noname	-0.3873
5	O4     6.4202    -2.6526     1.1335	O.3	1	noname	-0.1525
6	O5     4.4258   -10.6757    -2.0019	O.2	1	noname	-0.2483
7	O6     8.8269    -2.2265     1.7255	O.3	1	noname	-0.1645
8	O7     7.2912    -3.3022     3.4015	O.3	1	noname	-0.1645
9	O8     7.0309    -0.9643     2.7768	O.2	1	noname	-0.1967
10	N1     3.4704    -6.5531    -0.4257	N.3	1	noname	0.0142
11	N2     3.2614    -8.7824    -0.1254	N.2	1	noname	-0.2102
12	N3     4.7768    -6.6700    -2.5318	N.3	1	noname	0.0710
13	N4     5.1802    -8.8971    -3.2247	N.2	1	noname	-0.1643
14	C1     2.4155    -4.6551     0.9348	C.3	1	noname	0.1257
15	C2     3.2779    -5.1207    -0.2637	C.3	1	noname	0.1577
16	C3     2.7048    -3.1799     1.0634	C.3	1	noname	0.1127
17	C4     4.1320    -3.0732     0.5066	C.3	1	noname	0.1130
18	C5     5.0917    -2.6870     1.6339	C.3	1	noname	0.0914
19	C6     4.1218    -7.1639    -1.4426	C.2	1	noname	0.0081
20	C7     2.9746    -7.5591     0.3492	C.2	1	noname	-0.0356
21	C8     3.9692    -8.5385    -1.2299	C.2	1	noname	0.0587
22	C9     4.5249    -9.4387    -2.1525	C.2	1	noname	0.1389
23	C10     5.3193    -7.5445    -3.4447	C.2	1	noname	0.0169
24	H1     2.7817    -5.1756     1.8197	H	1	noname	0.0674
25	H2     2.8407    -4.7662    -1.2210	H	1	noname	0.0852
26	H3     2.6148    -2.8430     2.0961	H	1	noname	0.0657
27	H4     4.1399    -2.3123    -0.2738	H	1	noname	0.0657
28	H5     5.0245    -3.4219     2.4360	H	1	noname	0.0605
29	H6     4.8228    -1.7033     2.0189	H	1	noname	0.0605
30	H7     0.4954    -4.5484     1.3891	H	1	noname	0.2107
31	H8     2.0042    -1.4908     0.3148	H	1	noname	0.2106
32	H9     2.4399    -7.3990     1.2029	H	1	noname	0.1016
33	H10     4.8593    -5.7123    -2.6616	H	1	noname	0.0659
34	H11     5.8140    -7.1987    -4.2669	H	1	noname	0.0841
35	H12     9.0686    -3.1109     1.3794	H	1	noname	0.2283
36	H13     7.5329    -4.1866     3.0553	H	1	noname	0.2283
@<TRIPOS>BOND
1	1	5	1
2	1	7	1
3	1	8	1
4	1	9	2
5	2	15	1
6	2	17	1
7	14	3	1
8	3	30	1
9	16	4	1
10	4	31	1
11	5	18	1
12	6	22	2
13	7	35	1
14	8	36	1
15	15	10	1
16	10	19	1
17	10	20	1
18	11	20	2
19	11	21	1
20	12	19	1
21	12	23	1
22	12	33	1
23	13	22	1
24	13	23	2
25	14	15	1
26	14	16	1
27	14	24	1
28	15	25	1
29	16	17	1
30	16	26	1
31	17	18	1
32	17	27	1
33	18	28	1
34	18	29	1
35	19	21	2
36	20	32	1
37	21	22	1
38	23	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1