@<TRIPOS>MOLECULE
DB03414
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.0027     0.2700    -0.4759	S.3	1	noname	-0.1317
2	C1     1.7252    -0.2627    -0.0939	C.3	1	noname	0.0802
3	C2    -0.2830     1.9471     0.2312	C.3	1	noname	0.0582
4	N1     1.7366    -1.0119     1.1615	N.3	1	noname	-0.3171
5	C3     2.6133     0.9944     0.0482	C.3	1	noname	0.1069
6	C4     0.6514     2.1398     1.4468	C.3	1	noname	0.0967
7	C5     0.0313     3.0069    -0.8266	C.3	1	noname	0.0577
8	O1     2.6971     1.6588    -1.2039	O.3	1	noname	-0.3877
9	C6     2.1689     2.0044     1.1416	C.3	1	noname	0.1093
10	O2     0.2910     1.2242     2.4706	O.3	1	noname	-0.3889
11	O3    -0.8137     2.8175    -1.9520	O.3	1	noname	-0.3950
12	O4     2.7093     3.2849     0.8508	O.3	1	noname	-0.3875
13	H1     2.2623    -0.9416    -0.7564	H	1	noname	0.0608
14	H2    -1.2760     2.2220     0.5868	H	1	noname	0.0469
15	H3     2.6152    -1.2707     1.5872	H	1	noname	0.1195
16	H4     0.8659    -1.2707     1.6030	H	1	noname	0.1195
17	H5     3.6211     0.6575     0.2912	H	1	noname	0.0654
18	H6     0.4727     3.1382     1.8458	H	1	noname	0.0641
19	H7    -0.2402     3.9810    -0.4198	H	1	noname	0.0576
20	H8     1.0437     2.8311    -1.1903	H	1	noname	0.0576
21	H9     2.7443     1.0086    -1.9087	H	1	noname	0.2106
22	H10     2.6261     1.6560     2.0677	H	1	noname	0.0656
23	H11     0.4036     0.3260     2.1509	H	1	noname	0.2106
24	H12    -0.9316     1.8778    -2.1091	H	1	noname	0.2100
25	H13     2.9032     3.7442     1.6712	H	1	noname	0.2106
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	9	1
11	7	11	1
12	9	12	1
13	2	13	1
14	3	14	1
15	4	15	1
16	4	16	1
17	5	17	1
18	6	18	1
19	7	19	1
20	7	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1