@<TRIPOS>MOLECULE
DB03608
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -1.3366    -1.3410     0.4928	N.2	1	noname	-0.2115
2	N2    -0.9812    -0.7159    -0.4928	N.2	1	noname	-0.1682
3	N3    -2.3478    -2.0820     0.4348	N.3	1	noname	0.0417
4	C1     0.0703     0.0546    -0.4325	C.2	1	noname	0.0142
5	C2    -2.5451    -2.6625     1.6264	C.2	1	noname	-0.0167
6	C3     1.1125    -0.2580     0.4325	C.2	1	noname	0.0046
7	C4     0.1481     1.1881    -1.2333	C.2	1	noname	0.0046
8	C5    -3.6135    -3.5331     1.8069	C.2	1	noname	-0.0378
9	C6    -1.6813    -2.3940     2.6818	C.2	1	noname	-0.0378
10	C7     2.2324     0.5627     0.4967	C.2	1	noname	-0.0191
11	C8     1.2681     2.0089    -1.1691	C.2	1	noname	-0.0191
12	C9    -3.8181    -4.1353     3.0429	C.2	1	noname	-0.0334
13	C10    -1.8859    -2.9961     3.9178	C.2	1	noname	-0.0334
14	C11     2.3102     1.6962    -0.3041	C.2	1	noname	-0.0127
15	C12    -2.9544    -3.8667     4.0983	C.2	1	noname	-0.0420
16	C13     3.4060     2.4992    -0.2413	C.2	1	noname	-0.0754
17	C14    -3.1546    -4.4559     5.3077	C.2	1	noname	-0.0809
18	N4     3.4774     3.5389    -0.9759	N.2	1	noname	-0.2745
19	N5     4.3882     2.2046     0.5739	N.3	1	noname	-0.1373
20	N6    -2.3622    -4.2096     6.2757	N.2	1	noname	-0.2750
21	N7    -4.1615    -5.2764     5.4779	N.3	1	noname	-0.1377
22	H1    -2.8959    -2.1902    -0.4066	H	1	noname	0.1577
23	H2     1.0514    -1.1469     1.0605	H	1	noname	0.0646
24	H3    -0.6691     1.4333    -1.9117	H	1	noname	0.0646
25	H4    -4.2909    -3.7437     0.9793	H	1	noname	0.0640
26	H5    -0.8435    -1.7113     2.5401	H	1	noname	0.0640
27	H6     3.0497     0.3175     1.1750	H	1	noname	0.0630
28	H7     1.3291     2.8977    -1.7971	H	1	noname	0.0630
29	H8    -4.6560    -4.8180     3.1845	H	1	noname	0.0630
30	H9    -1.2086    -2.7856     4.7454	H	1	noname	0.0630
31	H10     3.5338     4.3608    -0.3915	H	1	noname	0.1888
32	H11     4.5155     1.2532     0.8882	H	1	noname	0.1257
33	H12     5.0182     2.9287     0.8882	H	1	noname	0.1257
34	H13    -2.0365    -5.0788     6.6737	H	1	noname	0.1888
35	H14    -5.1022    -4.9146     5.5435	H	1	noname	0.1257
36	H15    -3.9971    -6.2708     5.5435	H	1	noname	0.1257
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	7	11	2
11	8	12	1
12	9	13	2
13	10	14	2
14	11	14	1
15	12	15	2
16	13	15	1
17	14	16	1
18	15	17	1
19	16	18	2
20	16	19	1
21	17	20	2
22	17	21	1
23	3	22	1
24	6	23	1
25	7	24	1
26	8	25	1
27	9	26	1
28	10	27	1
29	11	28	1
30	12	29	1
31	13	30	1
32	18	31	1
33	19	32	1
34	19	33	1
35	20	34	1
36	21	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1