@<TRIPOS>MOLECULE
71317040
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.2986    -3.4500     1.8123	O.3	1	noname	-0.3472
2	O2     5.2060    -1.3314     1.5569	O.3	1	noname	-0.3364
3	O3     2.0610    -5.2963    -0.3985	O.3	1	noname	-0.3934
4	O4     4.4842    -6.0326     2.9179	O.3	1	noname	-0.3934
5	O5     6.6459     4.4053     3.9770	O.2	1	noname	-0.2466
6	N1     6.1097     0.7792     1.2966	N.3	1	noname	0.0146
7	N2     4.1479     1.5122     2.6086	N.3	1	noname	0.0738
8	N3     7.5240     2.3588     2.0055	N.2	1	noname	-0.2095
9	N4     4.5644     3.4590     3.8828	N.2	1	noname	-0.1575
10	N5     2.3999     2.5023     3.8452	N.3	1	noname	-0.1336
11	C1     5.4532     1.5482     2.1899	C.2	1	noname	0.0087
12	C2     3.7851    -4.5819     1.1256	C.3	1	noname	0.1065
13	C3     5.5998    -0.3447     0.6147	C.3	1	noname	0.1202
14	C4     6.3488     2.5280     2.6273	C.2	1	noname	0.0615
15	C5     7.3529     1.2985     1.1841	C.2	1	noname	-0.0340
16	C6     3.3607    -5.6451     2.1407	C.3	1	noname	0.0718
17	C7     2.5745    -4.1644     0.2882	C.3	1	noname	0.0718
18	C8     4.6924    -2.4633     0.8702	C.3	1	noname	0.1491
19	C9     5.8860     3.5199     3.5285	C.2	1	noname	0.1448
20	C10     3.6807     2.4893     3.4513	C.2	1	noname	-0.0477
21	H1     4.5555    -4.9907     0.4719	H	1	noname	0.0652
22	H2     4.7374    -0.0473     0.0182	H	1	noname	0.0785
23	H3     6.3703    -0.7535    -0.0390	H	1	noname	0.0785
24	H4     8.0718     0.9359     0.5579	H	1	noname	0.1016
25	H5     3.5591     0.8010     2.3114	H	1	noname	0.0676
26	H6     2.5903    -5.2363     2.7944	H	1	noname	0.0591
27	H7     2.9665    -6.5139     1.6136	H	1	noname	0.0591
28	H8     1.8041    -3.7556     0.9419	H	1	noname	0.0591
29	H9     2.8768    -3.4070    -0.4350	H	1	noname	0.0591
30	H10     3.8300    -2.1659     0.2736	H	1	noname	0.0883
31	H11     5.4629    -2.8721     0.2164	H	1	noname	0.0883
32	H12     4.2124    -6.7136     3.5681	H	1	noname	0.2101
33	H13     1.2856    -5.0289    -0.9349	H	1	noname	0.2101
34	H14     2.2504     3.2587     4.4338	H	1	noname	0.1257
35	H15     1.8236     2.5779     3.0687	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	12	1
2	1	18	1
3	2	13	1
4	2	18	1
5	3	17	1
6	3	33	1
7	4	16	1
8	4	32	1
9	5	19	2
10	6	11	1
11	6	13	1
12	6	15	1
13	7	11	1
14	7	20	1
15	7	25	1
16	8	14	1
17	8	15	2
18	9	19	1
19	9	20	2
20	10	20	1
21	10	34	1
22	10	35	1
23	11	14	2
24	12	16	1
25	12	17	1
26	12	21	1
27	13	22	1
28	13	23	1
29	14	19	1
30	15	24	1
31	16	26	1
32	16	27	1
33	17	28	1
34	17	29	1
35	18	30	1
36	18	31	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1