@<TRIPOS>MOLECULE
DB07350
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.3167    -0.5275    -0.4339	O.2	1	noname	-0.2863
2	C1    -3.7339    -0.9629    -1.4503	C.2	1	noname	0.0523
3	N1    -3.0629    -2.1214    -1.3933	N.3	1	noname	0.0096
4	C2    -3.7807    -0.2609    -2.6142	C.2	1	noname	0.0439
5	O2    -2.5139    -2.5003    -0.2775	O.3	1	noname	-0.3182
6	C3    -3.1606    -0.7242    -3.6957	C.2	1	noname	-0.0097
7	C4    -3.2075    -0.0221    -4.8595	C.2	1	noname	-0.0825
8	N2    -2.6265    -0.3821    -6.0113	N.3	1	noname	-0.0274
9	C5    -3.8636     1.1821    -5.0485	C.2	1	noname	-0.0143
10	C6    -2.8893     0.5527    -6.9317	C.2	1	noname	-0.0637
11	C7    -1.8652    -1.5506    -6.2190	C.3	1	noname	-0.0625
12	C8    -3.6644     1.5548    -6.3699	C.2	1	noname	-0.0103
13	C9    -4.1432     2.6973    -7.0001	C.2	1	noname	0.1023
14	O3    -3.4968     3.2109    -7.9387	O.2	1	noname	-0.2946
15	C10    -5.4013     3.2977    -6.5659	C.3	1	noname	0.0360
16	C11    -5.6834     4.4775    -7.3783	C.2	1	noname	-0.0516
17	C12    -6.8357     5.2202    -7.1485	C.2	1	noname	-0.0551
18	C13    -4.7998     4.8581    -8.3815	C.2	1	noname	-0.0551
19	C14    -7.1043     6.3435    -7.9219	C.2	1	noname	-0.0600
20	C15    -5.0684     5.9814    -9.1549	C.2	1	noname	-0.0600
21	C16    -6.2207     6.7241    -8.9251	C.2	1	noname	-0.0615
22	H1    -2.9697    -2.7178    -2.2031	H	1	noname	0.1644
23	H2    -4.3212     0.6834    -2.6809	H	1	noname	0.0676
24	H3    -2.4952    -3.4594    -0.2395	H	1	noname	0.2380
25	H4    -2.6202    -1.6684    -3.6290	H	1	noname	0.0644
26	H5    -4.4305     1.7332    -4.2981	H	1	noname	0.0650
27	H6    -2.5337     0.5060    -7.9610	H	1	noname	0.0798
28	H7    -1.5864    -1.9786    -5.2561	H	1	noname	0.0436
29	H8    -2.4561    -2.2741    -6.7808	H	1	noname	0.0436
30	H9    -0.9647    -1.3025    -6.7808	H	1	noname	0.0436
31	H10    -6.1865     2.5727    -6.7806	H	1	noname	0.0400
32	H11    -5.2471     3.6479    -5.5453	H	1	noname	0.0400
33	H12    -7.5286     4.9218    -6.3618	H	1	noname	0.0625
34	H13    -3.8962     4.2757    -8.5617	H	1	noname	0.0625
35	H14    -8.0079     6.9259    -7.7416	H	1	noname	0.0622
36	H15    -4.3755     6.2799    -9.9416	H	1	noname	0.0622
37	H16    -6.4313     7.6050    -9.5315	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	6	7	1
7	7	8	1
8	7	9	2
9	8	10	1
10	8	11	1
11	9	12	1
12	10	12	2
13	12	13	1
14	13	14	2
15	13	15	1
16	15	16	1
17	16	17	2
18	16	18	1
19	17	19	1
20	18	20	2
21	19	21	2
22	20	21	1
23	3	22	1
24	4	23	1
25	5	24	1
26	6	25	1
27	9	26	1
28	10	27	1
29	11	28	1
30	11	29	1
31	11	30	1
32	15	31	1
33	15	32	1
34	17	33	1
35	18	34	1
36	19	35	1
37	20	36	1
38	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1