@<TRIPOS>MOLECULE
119026018
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1655    -2.7072    -1.8444	O.3	1	noname	-0.2131
2	O2     1.4409    -2.6914    -0.2659	O.2	1	noname	-0.2484
3	O3     2.6127     3.1093    -0.3071	O.3	1	noname	-0.2861
4	N1    -1.7657    -3.1636     0.5562	N.3	1	noname	-0.3168
5	C1    -0.7260    -2.1407     0.4556	C.3	1	noname	0.1036
6	C2    -1.3627    -0.8018     0.0775	C.3	1	noname	-0.0003
7	C3    -0.3244     0.2197    -0.0230	C.2	1	noname	-0.0658
8	C4    -0.0129    -2.0041     1.8024	C.3	1	noname	-0.0371
9	C5     0.2394    -2.5272    -0.5692	C.2	1	noname	0.1454
10	C6     0.3138     0.4450    -1.2371	C.2	1	noname	-0.0474
11	C7     0.0260     0.9669     1.0955	C.2	1	noname	-0.0474
12	C8     1.3023     1.4175    -1.3327	C.2	1	noname	-0.0312
13	C9     1.0145     1.9394     0.9999	C.2	1	noname	-0.0312
14	C10     1.6527     2.1647    -0.2142	C.2	1	noname	-0.0019
15	H1    -2.0834    -0.5133     0.8426	H	1	noname	0.0340
16	H2    -1.8706    -0.8992    -0.8820	H	1	noname	0.0340
17	H3     0.7622    -1.2415     1.7274	H	1	noname	0.0255
18	H4    -0.7337    -1.7156     2.5675	H	1	noname	0.0255
19	H5     0.4406    -2.9580     2.0717	H	1	noname	0.0255
20	H6    -2.4415    -2.8931     1.2735	H	1	noname	0.1194
21	H7    -2.2420    -3.2549    -0.3435	H	1	noname	0.1194
22	H8     0.0567    -0.1033    -2.0579	H	1	noname	0.0626
23	H9    -0.4423     0.8015     1.9865	H	1	noname	0.0626
24	H10     1.7706     1.5828    -2.2237	H	1	noname	0.0650
25	H11     1.2716     2.4877     1.8207	H	1	noname	0.0650
26	H12     0.2994    -3.3498    -2.4201	H	1	noname	0.2213
27	H13     2.9555     3.1375    -1.2248	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	9	1
2	1	26	1
3	2	9	2
4	3	14	1
5	3	27	1
6	5	4	1
7	4	20	1
8	4	21	1
9	5	6	1
10	5	8	1
11	5	9	1
12	6	7	1
13	6	15	1
14	6	16	1
15	7	10	2
16	7	11	1
17	8	17	1
18	8	18	1
19	8	19	1
20	10	12	1
21	10	22	1
22	11	13	2
23	11	23	1
24	12	14	2
25	12	24	1
26	13	14	1
27	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1