@<TRIPOS>MOLECULE
DB03368
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8730     1.2398     2.4920	O.2	1	noname	-0.2799
2	C1    -0.6600     0.6697     1.4002	C.2	1	noname	0.0384
3	N1    -1.7206     0.0122     0.5907	N.3	1	noname	0.0848
4	N2     0.6811     0.5737     0.7671	N.3	1	noname	0.0848
5	C2    -1.3719    -1.4151     0.3443	C.2	1	noname	0.0948
6	C3     1.0383    -0.8533     0.5449	C.2	1	noname	0.0948
7	O2    -2.1157    -2.3654     0.6701	O.2	1	noname	-0.2817
8	C4     0.0206    -1.6168    -0.3646	C.3	1	noname	0.1400
9	O3     2.0539    -1.3902     1.0376	O.2	1	noname	-0.2817
10	C5     0.1245    -1.3489    -1.8528	C.2	1	noname	-0.0511
11	C6     0.4651    -3.0807    -0.3521	C.3	1	noname	-0.0386
12	C7    -0.6842    -0.3767    -2.5598	C.2	1	noname	-0.0393
13	C8     1.0152    -2.2185    -2.5710	C.2	1	noname	-0.0393
14	C9    -0.6434    -0.3200    -3.9847	C.2	1	noname	-0.0207
15	C10     1.0707    -2.1568    -4.0013	C.2	1	noname	-0.0207
16	C11     0.2269    -1.2178    -4.6894	C.2	1	noname	0.0045
17	O4     0.2540    -1.1795    -6.0386	O.3	1	noname	-0.2047
18	C12    -0.6672    -2.0344    -6.5316	C.2	1	noname	0.0034
19	C13    -0.8254    -2.1687    -7.9060	C.2	1	noname	-0.0242
20	C14    -1.4574    -2.7802    -5.6649	C.2	1	noname	-0.0242
21	C15    -1.7739    -3.0489    -8.4137	C.2	1	noname	-0.0507
22	C16    -2.4059    -3.6605    -6.1725	C.2	1	noname	-0.0507
23	C17    -2.5641    -3.7948    -7.5469	C.2	1	noname	-0.0682
24	H1    -2.5571     0.4691     0.2566	H	1	noname	0.1414
25	H2     1.2638     1.3619     0.5237	H	1	noname	0.1414
26	H3     0.5682    -3.4204     0.6784	H	1	noname	0.0249
27	H4    -0.2797    -3.6909    -0.8630	H	1	noname	0.0249
28	H5     1.4235    -3.1738    -0.8630	H	1	noname	0.0249
29	H6    -1.3269     0.3161    -2.0166	H	1	noname	0.0626
30	H7     1.6476    -2.9238    -2.0317	H	1	noname	0.0626
31	H8    -1.2647     0.3950    -4.5241	H	1	noname	0.0650
32	H9     1.7426    -2.8121    -4.5557	H	1	noname	0.0650
33	H10    -0.2057    -1.5838    -8.5857	H	1	noname	0.0650
34	H11    -1.3334    -2.6749    -4.5871	H	1	noname	0.0650
35	H12    -1.8980    -3.1543    -9.4915	H	1	noname	0.0623
36	H13    -3.0256    -4.2454    -5.4928	H	1	noname	0.0623
37	H14    -3.3079    -4.4851    -7.9450	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	8	1
10	8	10	1
11	8	11	1
12	10	12	2
13	10	13	1
14	12	14	1
15	13	15	2
16	14	16	2
17	15	16	1
18	16	17	1
19	17	18	1
20	18	19	2
21	18	20	1
22	19	21	1
23	20	22	2
24	21	23	2
25	22	23	1
26	3	24	1
27	4	25	1
28	11	26	1
29	11	27	1
30	11	28	1
31	12	29	1
32	13	30	1
33	14	31	1
34	15	32	1
35	19	33	1
36	20	34	1
37	21	35	1
38	22	36	1
39	23	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1