@<TRIPOS>MOLECULE
DB03839
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.6108    -2.6565    -0.2746	O.2	1	noname	-0.2495
2	C1    -2.3610    -2.6437    -0.2924	C.2	1	noname	0.1438
3	O2    -1.6695    -3.7453     0.0695	O.3	1	noname	-0.2139
4	C2    -1.6491    -1.4375    -0.7044	C.3	1	noname	0.0953
5	N1    -0.8219    -1.7350    -1.8727	N.3	1	noname	-0.3191
6	C3    -0.7580    -0.9546     0.4417	C.3	1	noname	-0.0030
7	C4    -0.0460     0.2516     0.0297	C.2	1	noname	-0.0660
8	C5     1.1968     0.1495    -0.5843	C.2	1	noname	-0.0475
9	C6    -0.6111     1.5020     0.2514	C.2	1	noname	-0.0475
10	C7     1.8747     1.2978    -0.9766	C.2	1	noname	-0.0312
11	C8     0.0668     2.6504    -0.1409	C.2	1	noname	-0.0312
12	C9     1.3096     2.5483    -0.7549	C.2	1	noname	-0.0019
13	O3     1.9679     3.6636    -1.1359	O.3	1	noname	-0.2861
14	H1    -1.6346    -3.8009     1.0272	H	1	noname	0.2213
15	H2    -2.3874    -0.6885    -0.9906	H	1	noname	0.0575
16	H3    -1.2501    -1.8377    -2.7817	H	1	noname	0.1191
17	H4     0.1776    -1.8377    -1.7708	H	1	noname	0.1191
18	H5    -1.4103    -0.6525     1.2611	H	1	noname	0.0337
19	H6     0.0074    -1.7132     0.6058	H	1	noname	0.0337
20	H7     1.6399    -0.8311    -0.7582	H	1	noname	0.0626
21	H8    -1.5857     1.5821     0.7328	H	1	noname	0.0626
22	H9     2.8493     1.2178    -1.4581	H	1	noname	0.0650
23	H10    -0.3763     3.6310     0.0329	H	1	noname	0.0650
24	H11     2.2538     4.1480    -0.3579	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	12	13	1
14	3	14	1
15	4	15	1
16	5	16	1
17	5	17	1
18	6	18	1
19	6	19	1
20	8	20	1
21	9	21	1
22	10	22	1
23	11	23	1
24	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1