@<TRIPOS>MOLECULE
DB03980
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	F1     0.5555    -1.0401     6.6960	F	1	noname	-0.1643
2	C1     0.4799    -1.5073     5.4841	C.2	1	noname	0.0353
3	C2     0.4833    -0.5825     4.3923	C.2	1	noname	0.0011
4	C3     0.3969    -2.9248     5.3002	C.2	1	noname	0.0011
5	C4     0.3770    -1.1074     3.0670	C.2	1	noname	-0.0123
6	C5     0.2820    -3.4198     3.9617	C.2	1	noname	-0.0123
7	C6     0.2323    -2.5182     2.8282	C.2	1	noname	-0.0307
8	C7     0.0136    -3.0462     1.5118	C.2	1	noname	0.0502
9	N1     0.6064    -4.2103     1.1967	N.2	1	noname	-0.2205
10	C8    -0.7890    -2.6563     0.3911	C.2	1	noname	-0.0493
11	C9     0.1994    -4.6097     0.0027	C.2	1	noname	-0.0336
12	N2    -0.6638    -3.7144    -0.4830	N.3	1	noname	-0.0307
13	C10    -1.6307    -1.4837     0.1608	C.2	1	noname	0.0353
14	C11    -1.1990    -4.0814    -1.7678	C.3	1	noname	-0.0495
15	N3    -2.2977    -1.4828    -1.0482	N.2	1	noname	-0.2253
16	C12    -1.8832    -0.3932     1.0503	C.2	1	noname	-0.0185
17	C13    -2.7084    -4.3731    -1.8714	C.3	1	noname	-0.0251
18	C14    -3.2031    -0.5539    -1.4866	C.2	1	noname	0.0869
19	C15    -2.8323     0.5858     0.6258	C.2	1	noname	0.0134
20	C16    -3.0589    -4.7406    -3.3147	C.3	1	noname	-0.0486
21	C17    -2.9194    -5.8384    -2.2581	C.3	1	noname	-0.0486
22	N4    -3.4450     0.4603    -0.6013	N.2	1	noname	-0.2422
23	N5    -3.8019    -0.6318    -2.6828	N.3	1	noname	-0.0797
24	H1     0.5645     0.4906     4.5652	H	1	noname	0.0653
25	H2     0.4204    -3.6050     6.1516	H	1	noname	0.0653
26	H3     0.4067    -0.4189     2.2226	H	1	noname	0.0630
27	H4     0.2317    -4.4971     3.8035	H	1	noname	0.0630
28	H5     0.5213    -5.5233    -0.4970	H	1	noname	0.1015
29	H6    -1.0152    -3.1984    -2.3798	H	1	noname	0.0476
30	H7    -0.6899    -5.0180    -1.9955	H	1	noname	0.0476
31	H8    -1.3740    -0.3118     2.0107	H	1	noname	0.0662
32	H9    -3.1217    -3.7014    -1.1190	H	1	noname	0.0319
33	H10    -3.0930     1.4421     1.2480	H	1	noname	0.0841
34	H11    -4.0782    -4.5118    -3.6258	H	1	noname	0.0270
35	H12    -2.2412    -4.6691    -4.0318	H	1	noname	0.0270
36	H13    -2.0155    -6.4441    -2.3233	H	1	noname	0.0270
37	H14    -3.8526    -6.2868    -1.9173	H	1	noname	0.0270
38	H15    -4.8098    -0.6611    -2.7420	H	1	noname	0.1273
39	H16    -3.2455    -0.6611    -3.5252	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	8	10	2
11	9	11	2
12	10	12	1
13	10	13	1
14	11	12	1
15	12	14	1
16	13	15	2
17	13	16	1
18	14	17	1
19	15	18	1
20	16	19	2
21	17	20	1
22	17	21	1
23	18	22	2
24	18	23	1
25	19	22	1
26	20	21	1
27	3	24	1
28	4	25	1
29	5	26	1
30	6	27	1
31	11	28	1
32	14	29	1
33	14	30	1
34	16	31	1
35	17	32	1
36	19	33	1
37	20	34	1
38	20	35	1
39	21	36	1
40	21	37	1
41	23	38	1
42	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1