@<TRIPOS>MOLECULE
112500424
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3749    -0.8893     3.0854	O.3	1	noname	-0.2015
2	O2     0.8031    -1.1654     1.4961	O.2	1	noname	-0.2467
3	O3    -2.9128    -1.4092     1.0734	O.3	1	noname	-0.2852
4	N1     0.6877     1.7725    -1.5858	N.3	1	noname	-0.0775
5	N2     3.9279    -2.2582     1.0247	N.3	1	noname	-0.3168
6	C1     3.0321    -1.1349     0.7545	C.3	1	noname	0.1039
7	C2     2.3590    -1.3349    -0.6049	C.3	1	noname	0.0016
8	C3     1.4644    -0.2131    -0.8748	C.2	1	noname	-0.0423
9	C4     0.1231    -0.1099    -0.5408	C.2	1	noname	-0.0256
10	C5     3.8364     0.1665     0.7388	C.3	1	noname	-0.0370
11	C6    -0.3347     1.1478    -0.9843	C.2	1	noname	-0.0957
12	C7     1.7790     0.9821    -1.5236	C.2	1	noname	-0.1081
13	C8     2.0122    -1.0641     1.7968	C.2	1	noname	0.1504
14	C9    -0.7189    -1.0092     0.1690	C.2	1	noname	-0.0070
15	C10    -1.6556     1.6049    -0.7140	C.2	1	noname	-0.0332
16	C11    -2.0651    -0.5829     0.4244	C.2	1	noname	0.0075
17	C12    -2.5238     0.7106    -0.0006	C.2	1	noname	-0.0174
18	C13     1.5086    -0.2078     3.9806	C.3	1	noname	0.0536
19	C14     2.2183     1.0293     4.5346	C.3	1	noname	-0.0409
20	H1     1.7860    -2.2621    -0.5937	H	1	noname	0.0341
21	H2     3.1204    -1.3878    -1.3830	H	1	noname	0.0341
22	H3     3.1685     1.0040     0.5373	H	1	noname	0.0255
23	H4     4.3159     0.3090     1.7072	H	1	noname	0.0255
24	H5     4.5978     0.1137    -0.0394	H	1	noname	0.0255
25	H6     2.6979     1.2222    -1.8956	H	1	noname	0.0792
26	H7     0.6490     2.6496    -1.9983	H	1	noname	0.1522
27	H8     3.3907    -3.1275     1.0352	H	1	noname	0.1194
28	H9     4.3775    -2.1246     1.9328	H	1	noname	0.1194
29	H10    -0.3804    -1.9186     0.4833	H	1	noname	0.0657
30	H11    -1.9716     2.5272    -1.0140	H	1	noname	0.0643
31	H12    -3.4801     0.9980     0.2075	H	1	noname	0.0650
32	H13     0.6062     0.0977     3.4511	H	1	noname	0.0570
33	H14     1.2405    -0.8715     4.8027	H	1	noname	0.0570
34	H15     1.5534     1.5524     5.2218	H	1	noname	0.0254
35	H16     2.4865     1.6929     3.7125	H	1	noname	0.0254
36	H17     3.1208     0.7238     5.0641	H	1	noname	0.0254
37	H18    -2.4504    -2.2448     1.2930	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	13	1
2	1	18	1
3	2	13	2
4	3	16	1
5	3	37	1
6	4	11	1
7	4	12	1
8	4	26	1
9	5	6	1
10	5	27	1
11	5	28	1
12	6	7	1
13	6	10	1
14	6	13	1
15	7	8	1
16	7	20	1
17	7	21	1
18	8	9	1
19	8	12	2
20	9	11	2
21	9	14	1
22	10	22	1
23	10	23	1
24	10	24	1
25	11	15	1
26	12	25	1
27	14	16	2
28	14	29	1
29	15	17	2
30	15	30	1
31	16	17	1
32	17	31	1
33	18	19	1
34	18	32	1
35	18	33	1
36	19	34	1
37	19	35	1
38	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1