@<TRIPOS>MOLECULE
102090471
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0461     0.4793     1.2911	O.3	1	noname	-0.2856
2	O2    -2.3535    -0.3892    -1.7508	O.3	1	noname	-0.2375
3	O3    -0.5479    -0.9810    -2.3248	O.2	1	noname	-0.2717
4	N1    -1.2115    -0.7928    -1.3859	N.2	1	noname	-0.2520
5	C1    -0.6208     0.1609    -0.5909	C.3	1	noname	0.1612
6	C2    -0.9659    -0.0777     0.7762	C.2	1	noname	-0.0156
7	C3     0.7996     0.0948    -0.7425	C.2	1	noname	-0.0373
8	C4    -0.1984    -0.8609     1.5288	C.2	1	noname	-0.0052
9	C5     0.8901    -1.4222     1.0100	C.2	1	noname	-0.0383
10	C6     1.8126    -0.6978     0.5443	C.1	1	noname	-0.0544
11	H1     1.2310     0.4796    -1.5462	H	1	noname	0.0703
12	H2    -0.4373    -1.0262     2.4752	H	1	noname	0.0654
13	H3     0.9766    -2.4082     0.9891	H	1	noname	0.0713
14	H4    -2.1344     0.2140     2.2304	H	1	noname	0.2179
15	H5    -2.9117    -0.2309    -0.9610	H	1	noname	0.2592
16	H6    -1.3017    -1.5885    -0.9034	H	1	noname	0.2714
17	H7    -0.9721     1.1493    -0.8871	H	1	noname	0.0808
@<TRIPOS>BOND
1	1	6	1
2	1	14	1
3	2	4	1
4	2	15	1
5	3	4	2
6	4	5	1
7	4	16	1
8	5	6	1
9	5	7	1
10	5	17	1
11	6	8	2
12	7	10	2
13	7	11	1
14	8	9	1
15	8	12	1
16	9	10	2
17	9	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1