@<TRIPOS>MOLECULE
DB01460
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.2002    -2.3720     0.8425	N.3	1	noname	-0.3034
2	C1     3.2418    -1.2776     0.9880	C.3	1	noname	0.0023
3	C2     4.8186    -2.6536     2.1369	C.3	1	noname	-0.0046
4	C3     3.5067    -3.5666     0.3635	C.3	1	noname	-0.0046
5	C4     2.5947    -0.9829    -0.3667	C.3	1	noname	0.0231
6	C5     5.5444    -1.4035     2.6382	C.3	1	noname	-0.0524
7	C6     4.5097    -4.7120     0.2112	C.3	1	noname	-0.0524
8	C7     1.6376     0.1100    -0.2213	C.2	1	noname	-0.0355
9	C8     0.2823     0.0097     0.0866	C.2	1	noname	-0.0328
10	C9     1.8873     1.4790    -0.3617	C.2	1	noname	-0.1260
11	C10    -0.2365     1.3132     0.1528	C.2	1	noname	-0.0899
12	C11    -0.5487    -1.1483     0.1971	C.2	1	noname	-0.0400
13	N2     0.7563     2.1790    -0.1200	N.3	1	noname	-0.0868
14	C12    -1.6320     1.5650     0.3590	C.2	1	noname	-0.0441
15	C13    -1.9480    -0.9116     0.3512	C.2	1	noname	-0.0541
16	C14    -2.4775     0.4180     0.4367	C.2	1	noname	-0.0512
17	H1     2.4609    -1.6487     1.6517	H	1	noname	0.0434
18	H2     3.8265    -0.4021     1.2705	H	1	noname	0.0434
19	H3     3.9972    -2.8549     2.8246	H	1	noname	0.0427
20	H4     5.5724    -3.4184     1.9495	H	1	noname	0.0427
21	H5     2.8077    -3.8445     1.1523	H	1	noname	0.0427
22	H6     3.1359    -3.3199    -0.6313	H	1	noname	0.0427
23	H7     3.3753    -0.6114    -1.0306	H	1	noname	0.0329
24	H8     2.0096    -1.8580    -0.6494	H	1	noname	0.0329
25	H9     5.5477    -1.3978     3.7282	H	1	noname	0.0243
26	H10     6.5710    -1.4078     2.2718	H	1	noname	0.0243
27	H11     5.0316    -0.5142     2.2718	H	1	noname	0.0243
28	H12     4.8153    -5.0609     1.1975	H	1	noname	0.0243
29	H13     4.0446    -5.5318    -0.3363	H	1	noname	0.0243
30	H14     5.3837    -4.3591    -0.3363	H	1	noname	0.0243
31	H15     2.8392     1.9402    -0.6251	H	1	noname	0.0792
32	H16    -0.1375    -2.1573     0.1656	H	1	noname	0.0629
33	H17     0.6675     3.1849    -0.1400	H	1	noname	0.1522
34	H18    -2.0294     2.5757     0.4518	H	1	noname	0.0642
35	H19    -2.6259    -1.7634     0.4046	H	1	noname	0.0622
36	H20    -3.5506     0.5604     0.5640	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	2	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	8	9	1
9	8	10	2
10	9	11	2
11	9	12	1
12	10	13	1
13	11	14	1
14	11	13	1
15	12	15	2
16	14	16	2
17	15	16	1
18	2	17	1
19	2	18	1
20	3	19	1
21	3	20	1
22	4	21	1
23	4	22	1
24	5	23	1
25	5	24	1
26	6	25	1
27	6	26	1
28	6	27	1
29	7	28	1
30	7	29	1
31	7	30	1
32	10	31	1
33	12	32	1
34	13	33	1
35	14	34	1
36	15	35	1
37	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1