@<TRIPOS>MOLECULE
90478947
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5879    -1.0191     0.8609	O.3	1	noname	-0.3870
2	N1    -0.2518    -3.4513     0.2697	N.3	1	noname	-0.3168
3	C1    -0.2260    -1.0155     0.4588	C.3	1	noname	0.0915
4	C2     0.0396    -2.2146    -0.4536	C.3	1	noname	0.0253
5	C3     0.0650     0.2195    -0.2634	C.2	1	noname	-0.0419
6	C4    -0.1030     1.4481     0.3648	C.2	1	noname	-0.0487
7	C5     0.5099     0.1668    -1.5792	C.2	1	noname	-0.0487
8	C6     0.1741     2.6239    -0.3229	C.2	1	noname	-0.0583
9	C7     0.7869     1.3426    -2.2669	C.2	1	noname	-0.0583
10	C8     0.6190     2.5711    -1.6387	C.2	1	noname	-0.0610
11	C9     0.0020    -4.5971    -0.6022	C.3	1	noname	-0.0163
12	H1     0.4130    -1.0805     1.3395	H	1	noname	0.0665
13	H2    -0.5994    -2.1496    -1.3343	H	1	noname	0.0458
14	H3     1.0850    -2.2118    -0.7622	H	1	noname	0.0458
15	H4    -0.4294     1.4868     1.3303	H	1	noname	0.0626
16	H5     0.6331    -0.7347    -2.0402	H	1	noname	0.0626
17	H6     0.3474    -3.5123     1.0954	H	1	noname	0.1220
18	H7     0.0508     3.5254     0.1381	H	1	noname	0.0622
19	H8     1.1134     1.3039    -3.2324	H	1	noname	0.0622
20	H9    -2.1624    -0.9606     0.0691	H	1	noname	0.2109
21	H10     0.8222     3.4340    -2.1433	H	1	noname	0.0622
22	H11    -0.2152    -5.5191    -0.0630	H	1	noname	0.0391
23	H12    -0.6370    -4.5321    -1.4829	H	1	noname	0.0391
24	H13     1.0474    -4.5943    -0.9109	H	1	noname	0.0391
@<TRIPOS>BOND
1	3	1	1
2	1	20	1
3	2	4	1
4	2	11	1
5	2	17	1
6	3	4	1
7	3	5	1
8	3	12	1
9	4	13	1
10	4	14	1
11	5	6	2
12	5	7	1
13	6	8	1
14	6	15	1
15	7	9	2
16	7	16	1
17	8	10	2
18	8	18	1
19	9	10	1
20	9	19	1
21	10	21	1
22	11	22	1
23	11	23	1
24	11	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1