@<TRIPOS>MOLECULE

37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1    -3.6178    -3.8453     1.2639	C.3	1	noname	-0.0264
2	C2    -3.1466    -5.1675     1.9107	C.3	1	noname	-0.0035
3	N1    -2.4245    -6.0216     0.9454	N.3	1	noname	-0.3153
4	C3    -1.0510    -5.6094     0.5951	C.3	1	noname	0.0094
5	C4    -0.9364    -4.2366    -0.1138	C.3	1	noname	0.0290
6	N2    -1.1159    -3.1156     0.8572	N.3	1	noname	0.0093
7	C5    -2.5383    -2.7314     1.1457	C.3	1	noname	0.0178
8	S1    -0.1667    -1.6690     0.4147	S	1	noname	-0.1122
9	O1    -0.7929    -1.1432    -0.9659	O.2	1	noname	-0.1969
10	O2    -0.3842    -0.5451     1.5391	O.2	1	noname	-0.1969
11	C6     1.5836    -1.9968     0.2688	C.2	1	noname	0.0252
12	C7     2.1016    -3.0216     1.0927	C.2	1	noname	0.0093
13	C8     3.4409    -3.4280     0.9935	C.2	1	noname	-0.0352
14	C9     4.2966    -2.8094     0.0720	C.2	1	noname	-0.0138
15	C10     3.8256    -1.7512    -0.7339	C.2	1	noname	0.0101
16	C11     2.4688    -1.3093    -0.6194	C.2	1	noname	0.0215
17	C12     2.0836    -0.1932    -1.4075	C.2	1	noname	0.0087
18	C13     2.9833     0.3786    -2.3248	C.2	1	noname	0.0165
19	N3     4.2455    -0.0985    -2.4233	N.2	1	noname	-0.2389
20	C14     4.6912    -1.1236    -1.6591	C.2	1	noname	0.0248
21	H1    -3.8838    -4.1048     0.2392	H	1	noname	0.0293
22	H2    -4.3753    -3.4481     1.9396	H	1	noname	0.0293
23	H3    -2.4134    -4.9076     2.6742	H	1	noname	0.0428
24	H4    -4.0410    -5.7281     2.1825	H	1	noname	0.0428
25	H5    -2.8487    -6.8461     0.5449	H	1	noname	0.1222
26	H6    -0.5424    -5.5063     1.5536	H	1	noname	0.0441
27	H7    -0.7145    -6.3575    -0.1228	H	1	noname	0.0441
28	H8     0.0862    -4.1501    -0.4811	H	1	noname	0.0458
29	H9    -1.7730    -4.1640    -0.8087	H	1	noname	0.0458
30	H10    -2.4892    -2.2699     2.1320	H	1	noname	0.0445
31	H11    -2.8291    -2.1369     0.2796	H	1	noname	0.0445
32	H12     1.4536    -3.5094     1.8209	H	1	noname	0.0639
33	H13     3.8174    -4.2259     1.6337	H	1	noname	0.0623
34	H14     5.3278    -3.1511    -0.0179	H	1	noname	0.0629
35	H15     1.0842     0.2302    -1.3070	H	1	noname	0.0645
36	H16     2.6967     1.2075    -2.9720	H	1	noname	0.0839
37	H17     5.7272    -1.4377    -1.7863	H	1	noname	0.0845
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	1
6	6	7	1
7	1	7	1
8	6	8	1
9	8	9	2
10	8	10	2
11	8	11	1
12	11	12	2
13	12	13	1
14	13	14	2
15	14	15	1
16	15	16	2
17	11	16	1
18	16	17	1
19	17	18	2
20	18	19	1
21	19	20	2
22	15	20	1
23	1	21	1
24	1	22	1
25	2	23	1
26	2	24	1
27	3	25	1
28	4	26	1
29	4	27	1
30	5	28	1
31	5	29	1
32	7	30	1
33	7	31	1
34	12	32	1
35	13	33	1
36	14	34	1
37	17	35	1
38	18	36	1
39	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1