@<TRIPOS>MOLECULE
71423166
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1086    -2.3757     2.6801	O.3	1	noname	-0.2139
2	O2    -0.1003    -0.3501     1.6955	O.2	1	noname	-0.2495
3	O3     4.9396     0.1773    -1.9814	O.3	1	noname	-0.2911
4	O4     3.7895     1.7804    -3.5142	O.3	1	noname	-0.2911
5	N1    -2.3600    -2.6621     0.8414	N.3	1	noname	-0.3191
6	C1    -1.2787    -0.9770    -0.5589	C.3	1	noname	-0.0030
7	C2    -1.0660    -2.0990     0.4594	C.3	1	noname	0.0953
8	C3     0.0136    -0.4147    -0.9404	C.2	1	noname	-0.0295
9	C4     0.7113    -0.9455    -2.0191	C.2	1	noname	-0.0433
10	C5     0.5461     0.6515    -0.2249	C.2	1	noname	-0.0433
11	C6     2.4741     0.6561    -1.6668	C.2	1	noname	-0.0325
12	C7     1.9416    -0.4101    -2.3823	C.2	1	noname	-0.0248
13	C8     1.7763     1.1868    -0.5882	C.2	1	noname	-0.0248
14	C9    -0.4002    -1.5625     1.6428	C.2	1	noname	0.1438
15	B1     3.8636     1.2608    -2.0771	B	1	noname	0.1133
16	H1    -1.8979    -0.1970    -0.1160	H	1	noname	0.0337
17	H2    -1.7757    -1.3776    -1.4424	H	1	noname	0.0337
18	H3    -0.4468    -2.8791     0.0164	H	1	noname	0.0575
19	H4     0.3206    -1.7278    -2.5441	H	1	noname	0.0625
20	H5     0.0340     1.0409     0.5666	H	1	noname	0.0625
21	H6     2.4536    -0.7995    -3.1738	H	1	noname	0.0618
22	H7     2.1671     1.9692    -0.0631	H	1	noname	0.0618
23	H8    -2.2179    -3.4116     1.5215	H	1	noname	0.1191
24	H9    -2.9406    -1.9307     1.2567	H	1	noname	0.1191
25	H10     0.6702    -2.1892     3.2450	H	1	noname	0.2213
26	H11     5.8070     0.5547    -2.2375	H	1	noname	0.1901
27	H12     4.6568     2.1578    -3.7703	H	1	noname	0.1901
@<TRIPOS>BOND
1	1	14	1
2	1	25	1
3	2	14	2
4	3	15	1
5	3	26	1
6	4	15	1
7	4	27	1
8	7	5	1
9	5	23	1
10	5	24	1
11	6	7	1
12	6	8	1
13	6	16	1
14	6	17	1
15	7	14	1
16	7	18	1
17	8	9	2
18	8	10	1
19	9	12	1
20	9	19	1
21	10	13	2
22	10	20	1
23	11	12	2
24	11	13	1
25	11	15	1
26	12	21	1
27	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1