@<TRIPOS>MOLECULE
DB04686
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6853    -0.4778     0.8878	O.2	1	noname	-0.2776
2	C1    -0.0283     0.1513     0.0258	C.2	1	noname	0.0802
3	N1     1.1866    -0.1637    -0.4581	N.3	1	noname	0.0607
4	C2    -0.3676     1.3247    -0.5430	C.2	1	noname	0.0728
5	C3     1.5483     0.7602    -1.3436	C.2	1	noname	0.0058
6	C4     1.9398    -1.2552     0.0194	C.3	1	noname	0.0985
7	N2     0.6078     1.6014    -1.3368	N.2	1	noname	-0.1995
8	C5    -1.4547     2.1064    -0.3785	C.2	1	noname	0.0171
9	C6     2.7143     0.9649    -2.2175	C.3	1	noname	0.0677
10	C7     2.8207    -0.8751     1.1131	C.2	1	noname	0.1427
11	C8    -1.7353     3.3191    -1.0229	C.2	1	noname	-0.0545
12	N3     3.4288     2.2121    -1.8910	N.3	1	noname	-0.3213
13	C9     3.6778    -0.2327    -2.4186	C.3	1	noname	0.0554
14	O2     2.9997    -1.7403     1.9972	O.2	1	noname	-0.2504
15	O3     3.5059     0.2815     1.1915	O.3	1	noname	-0.2146
16	C10    -2.9574     4.0111    -0.7197	C.2	1	noname	-0.0349
17	C11    -0.8132     3.8664    -1.9855	C.2	1	noname	-0.0349
18	C12     4.8795    -0.4129    -1.4547	C.2	1	noname	0.1358
19	C13    -3.2413     5.2449    -1.3834	C.2	1	noname	-0.0280
20	C14    -1.0566     5.0698    -2.6542	C.2	1	noname	-0.0280
21	O4     5.6636    -1.3745    -1.6063	O.2	1	noname	-0.2553
22	O5     5.0786     0.4688    -0.4520	O.3	1	noname	-0.2184
23	C15    -2.2738     5.7230    -2.3263	C.2	1	noname	0.0037
24	O6    -2.4650     6.8707    -2.9898	O.3	1	noname	-0.2858
25	H1     1.2131    -1.9566     0.4294	H	1	noname	0.0548
26	H2     2.5795    -1.5560    -0.8103	H	1	noname	0.0548
27	H3    -2.1747     1.7215     0.3437	H	1	noname	0.0653
28	H4     2.2218     1.1141    -3.1784	H	1	noname	0.0546
29	H5     4.4326     2.2045    -1.7791	H	1	noname	0.1191
30	H6     2.9147     3.0742    -1.7791	H	1	noname	0.1191
31	H7     3.0585    -1.1144    -2.2540	H	1	noname	0.0393
32	H8     4.1314    -0.0597    -3.3945	H	1	noname	0.0393
33	H9     3.6419     0.5111     2.1136	H	1	noname	0.2213
34	H10    -3.6617     3.6044     0.0060	H	1	noname	0.0629
35	H11     0.1145     3.3442    -2.2196	H	1	noname	0.0629
36	H12    -4.1578     5.7983    -1.1790	H	1	noname	0.0650
37	H13    -0.3479     5.4702    -3.3792	H	1	noname	0.0650
38	H14     5.2410    -0.0076     0.3655	H	1	noname	0.2213
39	H15    -2.5843     7.5872    -2.3621	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	2
8	5	9	1
9	5	7	2
10	6	10	1
11	8	11	1
12	9	12	1
13	9	13	1
14	10	14	2
15	10	15	1
16	11	16	2
17	11	17	1
18	13	18	1
19	16	19	1
20	17	20	2
21	18	21	2
22	18	22	1
23	19	23	2
24	20	23	1
25	23	24	1
26	6	25	1
27	6	26	1
28	8	27	1
29	9	28	1
30	12	29	1
31	12	30	1
32	13	31	1
33	13	32	1
34	15	33	1
35	16	34	1
36	17	35	1
37	19	36	1
38	20	37	1
39	22	38	1
40	24	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1