@<TRIPOS>MOLECULE
90478664
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.3216     2.3647     0.5223	O.2	1	noname	-0.2629
2	N1     0.9661    -0.1007    -0.0459	N.3	1	noname	-0.0093
3	N2    -0.2888     0.2744     0.1599	N.3	1	noname	-0.1595
4	N3     1.1959     3.4769     0.4155	N.3	1	noname	-0.1180
5	C1     1.7491     1.0156    -0.0960	C.2	1	noname	-0.0413
6	C2     0.9330     2.1423     0.1753	C.2	1	noname	-0.0107
7	C3    -0.3387     1.6225     0.2953	C.2	1	noname	0.1076
8	C4    -1.4216    -0.4938     0.2578	C.2	1	noname	-0.0126
9	C5     3.2292     1.0255    -0.3086	C.3	1	noname	-0.0263
10	C6     1.5107    -1.4507     0.0264	C.3	1	noname	0.0077
11	C7     1.9613     3.8302     1.5501	C.3	1	noname	-0.0085
12	C8     0.6363     4.5419    -0.3594	C.3	1	noname	-0.0085
13	C9    -1.5751    -1.6347    -0.5673	C.2	1	noname	-0.0292
14	C10    -2.4790    -0.1670     1.1607	C.2	1	noname	-0.0292
15	C11    -2.6249    -2.5359    -0.3612	C.2	1	noname	-0.0517
16	C12    -3.6073    -0.9898     1.2539	C.2	1	noname	-0.0517
17	C13    -3.6694    -2.1933     0.5185	C.2	1	noname	-0.0604
18	H1     3.4632     1.6148    -1.1994	H	1	noname	0.0291
19	H2     3.6609     0.0308    -0.4792	H	1	noname	0.0291
20	H3     3.7339     1.4283     0.5763	H	1	noname	0.0291
21	H4     1.0484    -2.1748    -0.6594	H	1	noname	0.0413
22	H5     1.4341    -1.8191     1.0494	H	1	noname	0.0413
23	H6     2.5767    -1.3880    -0.1925	H	1	noname	0.0413
24	H7     2.0737     4.9137     1.5895	H	1	noname	0.0398
25	H8     1.4556     3.4843     2.4516	H	1	noname	0.0398
26	H9     0.9935     5.4973     0.0248	H	1	noname	0.0398
27	H10    -0.4511     4.5071    -0.2929	H	1	noname	0.0398
28	H11     0.9403     4.4324    -1.4004	H	1	noname	0.0398
29	H12     2.9449     3.3651     1.4841	H	1	noname	0.0398
30	H13    -0.9396    -1.8207    -1.3383	H	1	noname	0.0639
31	H14    -2.4598     0.6691     1.7564	H	1	noname	0.0639
32	H15    -2.6304    -3.4249    -0.8661	H	1	noname	0.0623
33	H16    -4.3935    -0.6885     1.8547	H	1	noname	0.0623
34	H17    -4.4806    -2.8003     0.5995	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	7	2
2	2	3	1
3	2	5	1
4	2	10	1
5	3	7	1
6	3	8	1
7	4	6	1
8	4	11	1
9	4	12	1
10	5	6	2
11	5	9	1
12	6	7	1
13	8	13	2
14	8	14	1
15	9	18	1
16	9	19	1
17	9	20	1
18	10	21	1
19	10	22	1
20	10	23	1
21	11	24	1
22	11	25	1
23	11	29	1
24	12	26	1
25	12	27	1
26	12	28	1
27	13	15	1
28	13	30	1
29	14	16	2
30	14	31	1
31	15	17	2
32	15	32	1
33	16	17	1
34	16	33	1
35	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1