@<TRIPOS>MOLECULE
76961373
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0682    -0.7273     1.1426	O.3	1	noname	-0.2423
2	N1     3.8565    -1.3482    -1.7493	N.3	1	noname	-0.2798
3	N2     0.3174     0.5568     0.1765	N.2	1	noname	-0.2356
4	N3     7.1508    -1.2855    -1.5820	N.1	1	noname	-0.1885
5	C1     4.9045    -2.3529    -1.9214	C.3	1	noname	0.1111
6	C2     4.2093    -1.7075    -3.1218	C.3	1	noname	0.0290
7	C3     2.6053    -2.0076    -1.3792	C.3	1	noname	0.0290
8	C4     1.5587    -1.0043    -1.2073	C.2	1	noname	0.0026
9	C5     6.1234    -1.7737    -1.7373	C.1	1	noname	0.0749
10	C6     1.3234    -0.3896     0.0685	C.2	1	noname	0.0629
11	C7     0.7340    -0.6014    -2.3048	C.2	1	noname	-0.0274
12	C8    -0.2985     0.3791    -2.1648	C.2	1	noname	-0.0467
13	C9    -0.4949     0.9648    -0.8690	C.2	1	noname	0.0054
14	C10    -1.5310     1.9713    -0.6569	C.3	1	noname	0.0329
15	C11     3.2054     0.1200     1.2154	C.3	1	noname	0.0440
16	H1     4.6179    -3.3370    -1.5507	H	1	noname	0.0643
17	H2     3.4624    -2.3936    -3.5212	H	1	noname	0.0458
18	H3     4.8831    -1.0751    -3.6999	H	1	noname	0.0458
19	H4     2.3152    -2.7042    -2.1658	H	1	noname	0.0483
20	H5     2.7439    -2.5518    -0.4449	H	1	noname	0.0483
21	H6     0.8874    -1.0280    -3.2186	H	1	noname	0.0628
22	H7    -0.8761     0.6530    -2.9597	H	1	noname	0.0641
23	H8    -2.2370     1.6137     0.0927	H	1	noname	0.0295
24	H9    -2.0573     2.1540    -1.5938	H	1	noname	0.0295
25	H10    -1.0723     2.8977    -0.3112	H	1	noname	0.0295
26	H11     3.8067    -0.1527     2.0826	H	1	noname	0.0535
27	H12     2.8808     1.1563     1.3097	H	1	noname	0.0535
28	H13     3.8014     0.0069     0.3099	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	10	1
2	1	15	1
3	2	5	1
4	2	6	1
5	2	7	1
6	3	10	1
7	3	13	2
8	4	9	3
9	5	6	1
10	5	9	1
11	5	16	1
12	6	17	1
13	6	18	1
14	7	8	1
15	7	19	1
16	7	20	1
17	8	10	2
18	8	11	1
19	11	12	2
20	11	21	1
21	12	13	1
22	12	22	1
23	13	14	1
24	14	23	1
25	14	24	1
26	14	25	1
27	15	26	1
28	15	27	1
29	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1