@<TRIPOS>MOLECULE
DB02310
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.3871     0.0347     0.1071	N.2	1	noname	-0.0871
2	C1     0.0174    -0.0367    -0.0349	C.2	1	noname	0.0071
3	C2     2.0898     1.2044    -0.0274	C.2	1	noname	0.0822
4	C3     2.0964    -1.1472     0.4037	C.3	1	noname	0.1687
5	C4    -0.6724    -1.2717    -0.0110	C.2	1	noname	0.0663
6	C5    -0.7352     1.1655    -0.2878	C.2	1	noname	0.0797
7	C6     1.4030     2.4118    -0.3172	C.2	1	noname	0.0071
8	N2     0.0099    -2.4613     0.0828	N.2	1	noname	-0.2235
9	C7    -2.1012    -1.2793    -0.1721	C.2	1	noname	0.0203
10	C8    -2.1480     1.1585    -0.3932	C.2	1	noname	-0.0130
11	C9    -0.0149     2.3803    -0.4275	C.2	1	noname	-0.0386
12	C10     2.1366     3.6610    -0.4983	C.3	1	noname	0.0183
13	C11    -0.6111    -3.6834     0.0226	C.2	1	noname	-0.0083
14	C12    -2.8403    -0.0743    -0.3133	C.2	1	noname	0.0174
15	C13    -2.7562    -2.5397    -0.2371	C.2	1	noname	-0.0326
16	C14    -2.8811     2.4069    -0.5819	C.3	1	noname	0.0058
17	C15    -2.0201    -3.7537    -0.1282	C.2	1	noname	-0.0260
18	C16    -4.2987    -0.1066    -0.3755	C.3	1	noname	0.0122
19	C17    -2.7012    -5.0444    -0.1709	C.3	1	noname	0.0066
20	H1     3.1726     1.1750     0.0936	H	1	noname	0.1265
21	H2     2.1680    -1.2665     1.4848	H	1	noname	0.0878
22	H3     1.5717    -2.0024    -0.0222	H	1	noname	0.0878
23	H4     3.0979    -1.0865    -0.0222	H	1	noname	0.0878
24	H5    -0.5596     3.3041    -0.6227	H	1	noname	0.0636
25	H6     2.3838     4.0819     0.4763	H	1	noname	0.0282
26	H7     3.0543     3.4662    -1.0533	H	1	noname	0.0282
27	H8     1.5195     4.3676    -1.0533	H	1	noname	0.0282
28	H9     0.0031    -4.5810     0.0933	H	1	noname	0.0842
29	H10    -3.8372    -2.5758    -0.3723	H	1	noname	0.0633
30	H11    -3.1308     2.8321     0.3901	H	1	noname	0.0280
31	H12    -2.2625     3.1110    -1.1384	H	1	noname	0.0280
32	H13    -3.7974     2.2096    -1.1384	H	1	noname	0.0280
33	H14    -4.7053    -0.1156     0.6358	H	1	noname	0.0280
34	H15    -4.6594     0.7756    -0.9043	H	1	noname	0.0280
35	H16    -4.6200    -1.0039    -0.9043	H	1	noname	0.0280
36	H17    -2.8848    -5.3922     0.8456	H	1	noname	0.0280
37	H18    -3.6508    -4.9369    -0.6952	H	1	noname	0.0280
38	H19    -2.0766    -5.7677    -0.6952	H	1	noname	0.0280
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	1
4	2	5	2
5	2	6	1
6	3	7	1
7	5	8	1
8	5	9	1
9	6	10	2
10	6	11	1
11	7	12	1
12	7	11	2
13	8	13	2
14	9	14	2
15	9	15	1
16	10	16	1
17	10	14	1
18	13	17	1
19	14	18	1
20	15	17	2
21	17	19	1
22	3	20	1
23	4	21	1
24	4	22	1
25	4	23	1
26	11	24	1
27	12	25	1
28	12	26	1
29	12	27	1
30	13	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	16	32	1
35	18	33	1
36	18	34	1
37	18	35	1
38	19	36	1
39	19	37	1
40	19	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1