@<TRIPOS>MOLECULE
DB02027
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.9657    -1.9319    -0.4313	O.2	1	noname	-0.1318
2	N1     5.8018    -1.9205    -0.3823	N.2	1	noname	-0.0127
3	O2     5.1573    -0.9505    -0.8764	O.3	1	noname	-0.1318
4	N2     5.1873    -2.8706     0.1607	N.3	1	noname	0.1145
5	C1     3.8978    -2.6474     0.1011	C.2	1	noname	-0.0629
6	N3     3.0835    -3.6267     0.0411	N.2	1	noname	-0.2555
7	N4     3.4450    -1.4182     0.1032	N.3	1	noname	-0.1099
8	C2     2.0369    -1.4359     0.0329	C.3	1	noname	0.0024
9	C3     1.5081    -0.0002     0.0353	C.3	1	noname	-0.0387
10	C4    -0.0199    -0.0194    -0.0409	C.3	1	noname	-0.0355
11	C5    -0.5488     1.4163    -0.0385	C.3	1	noname	0.0166
12	N5    -2.0088     1.3980    -0.1113	N.3	1	noname	-0.3265
13	C6     0.0128     2.1687    -1.2466	C.3	1	noname	0.0105
14	N6    -0.4926     3.5406    -1.2442	N.3	1	noname	-0.3139
15	C7     0.0440     4.2596    -2.3987	C.3	1	noname	0.0076
16	C8    -0.4848     5.6953    -2.3962	C.3	1	noname	0.0049
17	N7     0.0517     6.4142    -3.5506	N.3	1	noname	-0.3292
18	H1     5.6474    -3.6704     0.5714	H	1	noname	0.1636
19	H2     2.8398    -3.9197     0.9764	H	1	noname	0.1899
20	H3     4.0586    -0.6173     0.1497	H	1	noname	0.1306
21	H4     1.8018    -1.8829    -0.9330	H	1	noname	0.0432
22	H5     1.7082    -1.9206     0.9522	H	1	noname	0.0432
23	H6     1.7695     0.4298     1.0022	H	1	noname	0.0280
24	H7     1.8631     0.4675    -0.8830	H	1	noname	0.0280
25	H8    -0.2813    -0.4493    -1.0078	H	1	noname	0.0283
26	H9    -0.3749    -0.4870     0.8774	H	1	noname	0.0283
27	H10    -0.2816     1.9233     0.8888	H	1	noname	0.0475
28	H11    -2.5241     2.2663    -0.1365	H	1	noname	0.1187
29	H12    -2.5022     0.5170    -0.1365	H	1	noname	0.1187
30	H13     1.0918     2.2460    -1.1133	H	1	noname	0.0444
31	H14    -0.3935     1.7007    -2.1432	H	1	noname	0.0444
32	H15    -1.1159     3.9313    -0.5522	H	1	noname	0.1223
33	H16     1.1226     4.3062    -2.2485	H	1	noname	0.0441
34	H17    -0.3627     3.7609    -3.2784	H	1	noname	0.0441
35	H18    -1.5634     5.6486    -2.5464	H	1	noname	0.0438
36	H19    -0.0782     6.1939    -1.5164	H	1	noname	0.0438
37	H20    -0.5562     6.6625    -4.3180	H	1	noname	0.1184
38	H21     1.0302     6.6625    -3.5807	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	7	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	11	13	1
13	13	14	1
14	14	15	1
15	15	16	1
16	16	17	1
17	4	18	1
18	6	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	9	23	1
23	9	24	1
24	10	25	1
25	10	26	1
26	11	27	1
27	12	28	1
28	12	29	1
29	13	30	1
30	13	31	1
31	14	32	1
32	15	33	1
33	15	34	1
34	16	35	1
35	16	36	1
36	17	37	1
37	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1