@<TRIPOS>MOLECULE
DB01767
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.7484     2.7466     0.5709	N.2	1	noname	-0.2288
2	C1    -0.4638     2.3152     0.2169	C.2	1	noname	0.0146
3	C2     1.5882     1.7555     0.2200	C.2	1	noname	-0.0361
4	C3    -0.3258     1.0214    -0.3390	C.2	1	noname	-0.0573
5	C4    -1.7154     2.9738     0.3254	C.2	1	noname	0.0124
6	N2     0.9676     0.6882    -0.3235	N.3	1	noname	-0.0334
7	C5     3.0167     1.8367     0.5072	C.3	1	noname	0.0871
8	C6    -1.4424     0.2858    -0.8227	C.2	1	noname	-0.0270
9	C7    -2.8429     2.2503    -0.1693	C.2	1	noname	-0.0084
10	C8     3.9338     2.2285    -0.5775	C.2	1	noname	-0.0371
11	C9    -2.7092     0.9371    -0.7284	C.2	1	noname	-0.0234
12	C10    -4.0754     2.8219    -0.1085	C.2	1	noname	-0.0741
13	N3     4.5355     3.4321    -0.6089	N.2	1	noname	-0.2305
14	N4     4.3927     1.4212    -1.5542	N.3	1	noname	-0.0341
15	N5    -5.0933     2.1906    -0.5454	N.2	1	noname	-0.2743
16	N6    -4.2168     4.0213     0.3991	N.3	1	noname	-0.1372
17	C11     5.4286     3.3911    -1.6035	C.2	1	noname	0.0066
18	C12     5.3247     2.1229    -2.2161	C.2	1	noname	-0.0599
19	C13     6.4509     4.3172    -1.9527	C.2	1	noname	-0.0112
20	C14     6.1978     1.7232    -3.2649	C.2	1	noname	-0.0355
21	C15     7.3974     3.8988    -2.9507	C.2	1	noname	-0.0440
22	C16     7.2574     2.6290    -3.6134	C.2	1	noname	-0.0477
23	H1    -1.8047     3.9694     0.7599	H	1	noname	0.0653
24	H2     1.3817    -0.1738    -0.6484	H	1	noname	0.1540
25	H3     3.1026     2.6303     1.2494	H	1	noname	0.0426
26	H4     3.3033     0.8169     0.7641	H	1	noname	0.0426
27	H5    -1.3339    -0.7153    -1.2400	H	1	noname	0.0643
28	H6    -3.5964     0.4188    -1.0922	H	1	noname	0.0630
29	H7     4.0964     0.4760    -1.7513	H	1	noname	0.1540
30	H8    -5.6394     1.8518     0.2338	H	1	noname	0.1888
31	H9    -3.4027     4.5860     0.5948	H	1	noname	0.1257
32	H10    -5.1400     4.3812     0.5948	H	1	noname	0.1257
33	H11     6.5061     5.2976    -1.4795	H	1	noname	0.0645
34	H12     6.0616     0.7702    -3.7762	H	1	noname	0.0643
35	H13     8.2310     4.5522    -3.2080	H	1	noname	0.0623
36	H14     7.9662     2.3485    -4.3926	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	6	1
9	5	9	2
10	7	10	1
11	8	11	2
12	9	12	1
13	9	11	1
14	10	13	2
15	10	14	1
16	12	15	2
17	12	16	1
18	13	17	1
19	14	18	1
20	17	19	1
21	17	18	2
22	18	20	1
23	19	21	2
24	20	22	2
25	21	22	1
26	5	23	1
27	6	24	1
28	7	25	1
29	7	26	1
30	8	27	1
31	11	28	1
32	14	29	1
33	15	30	1
34	16	31	1
35	16	32	1
36	19	33	1
37	20	34	1
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1