@<TRIPOS>MOLECULE
DB01620
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.5136    -0.1947    -0.3060	N.2	1	noname	-0.2557
2	C1     1.8750     0.0489    -0.2248	C.2	1	noname	0.0037
3	C2    -0.4709     0.7445    -0.0455	C.2	1	noname	-0.0046
4	C3     2.3202     1.3600     0.1543	C.2	1	noname	-0.0274
5	C4     2.8386    -1.0078    -0.5191	C.3	1	noname	0.0644
6	C5    -0.0759     2.0705     0.3374	C.2	1	noname	-0.0338
7	C6     1.3243     2.3497     0.4292	C.2	1	noname	-0.0429
8	C7     2.6525    -1.4675    -1.8922	C.2	1	noname	-0.0518
9	C8     2.6232    -2.1771     0.4438	C.3	1	noname	-0.0279
10	C9     3.6948    -1.3665    -2.8063	C.2	1	noname	-0.0553
11	C10     1.4329    -2.0061    -2.2856	C.2	1	noname	-0.0553
12	C11     2.8183    -1.6953     1.8829	C.3	1	noname	-0.0014
13	C12     3.5176    -1.8042    -4.1136	C.2	1	noname	-0.0607
14	C13     1.2557    -2.4438    -3.5929	C.2	1	noname	-0.0607
15	N2     2.6125    -2.8127     2.8030	N.3	1	noname	-0.3092
16	C14     2.2981    -2.3428    -4.5069	C.2	1	noname	-0.0620
17	C15     2.7988    -2.3523     4.1780	C.3	1	noname	-0.0136
18	C16     1.2553    -3.3323     2.6427	C.3	1	noname	-0.0136
19	H1    -1.5167     0.4513    -0.1383	H	1	noname	0.0839
20	H2     3.3814     1.5966     0.2310	H	1	noname	0.0641
21	H3     3.8407    -0.5875    -0.4339	H	1	noname	0.0418
22	H4    -0.8162     2.8413     0.5518	H	1	noname	0.0638
23	H5     1.6433     3.3510     0.7185	H	1	noname	0.0623
24	H6     1.5785    -2.4735     0.3501	H	1	noname	0.0290
25	H7     3.4147    -2.8993     0.2438	H	1	noname	0.0290
26	H8     4.6511    -0.9441    -2.4978	H	1	noname	0.0625
27	H9     0.6156    -2.0853    -1.5688	H	1	noname	0.0625
28	H10     3.8628    -1.4039     1.9933	H	1	noname	0.0430
29	H11     2.0265    -0.9782     2.0997	H	1	noname	0.0430
30	H12     4.3350    -1.7250    -4.8303	H	1	noname	0.0622
31	H13     0.2994    -2.8662    -3.9013	H	1	noname	0.0622
32	H14     2.1591    -2.6861    -5.5321	H	1	noname	0.0622
33	H15     2.8886    -3.2133     4.8404	H	1	noname	0.0394
34	H16     3.7053    -1.7502     4.2399	H	1	noname	0.0394
35	H17     1.9415    -1.7502     4.4790	H	1	noname	0.0394
36	H18     0.8129    -3.5017     3.6244	H	1	noname	0.0394
37	H19     0.6524    -2.6102     2.0922	H	1	noname	0.0394
38	H20     1.2889    -4.2724     2.0922	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	2
6	4	7	2
7	5	8	1
8	5	9	1
9	6	7	1
10	8	10	2
11	8	11	1
12	9	12	1
13	10	13	1
14	11	14	2
15	12	15	1
16	13	16	2
17	14	16	1
18	15	17	1
19	15	18	1
20	3	19	1
21	4	20	1
22	5	21	1
23	6	22	1
24	7	23	1
25	9	24	1
26	9	25	1
27	10	26	1
28	11	27	1
29	12	28	1
30	12	29	1
31	13	30	1
32	14	31	1
33	16	32	1
34	17	33	1
35	17	34	1
36	17	35	1
37	18	36	1
38	18	37	1
39	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1