@<TRIPOS>MOLECULE
DB07120
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0266    -1.9414    -1.8309	O.2	1	noname	-0.2627
2	C1    -2.1079    -0.8777    -1.1794	C.2	1	noname	0.0697
3	N1    -1.0535    -0.4391    -0.4784	N.3	1	noname	-0.1183
4	N2    -3.2495    -0.1761    -1.1820	N.3	1	noname	-0.0159
5	C2     0.1898    -0.7198    -0.8922	C.2	1	noname	-0.0168
6	C3    -1.2423     0.2802     0.6363	C.2	1	noname	-0.0168
7	N3    -4.0564    -0.2114    -2.2537	N.3	1	noname	-0.0613
8	C4     1.2175    -0.8514     0.0344	C.2	1	noname	-0.0285
9	C5     0.4517    -0.8793    -2.2479	C.2	1	noname	-0.0285
10	C6    -2.5319     0.5714     1.0654	C.2	1	noname	-0.0285
11	C7    -0.1485     0.7352     1.3634	C.2	1	noname	-0.0285
12	C8    -4.2011     1.0468    -2.7547	C.2	1	noname	-0.1230
13	C9     2.5071    -1.1425    -0.3948	C.2	1	noname	-0.0521
14	C10     1.7413    -1.1704    -2.6771	C.2	1	noname	-0.0521
15	C11    -2.7277     1.3175     2.2217	C.2	1	noname	-0.0521
16	C12    -0.3443     1.4814     2.5197	C.2	1	noname	-0.0521
17	N4    -3.8421     1.3017    -3.9513	N.2	1	noname	-0.2669
18	N5    -4.7091     1.9951    -2.0072	N.3	1	noname	-0.1281
19	C13     2.7690    -1.3021    -1.7505	C.2	1	noname	-0.0565
20	C14    -1.6339     1.7725     2.9488	C.2	1	noname	-0.0565
21	H1    -3.5016     0.3790    -0.3767	H	1	noname	0.1524
22	H2    -4.4848    -1.0482    -2.6229	H	1	noname	0.1506
23	H3     1.0121    -0.7263     1.0975	H	1	noname	0.0639
24	H4    -0.3542    -0.7761    -2.9745	H	1	noname	0.0639
25	H5    -3.3896     0.2146     0.4952	H	1	noname	0.0639
26	H6     0.8628     0.5069     1.0268	H	1	noname	0.0639
27	H7     3.3131    -1.2458     0.3318	H	1	noname	0.0623
28	H8     1.9467    -1.2955    -3.7402	H	1	noname	0.0623
29	H9    -3.7390     1.5458     2.5583	H	1	noname	0.0623
30	H10     0.5134     1.8382     3.0899	H	1	noname	0.0623
31	H11    -3.6926     0.4360    -4.4496	H	1	noname	0.1899
32	H12    -4.1339     2.7737    -1.7191	H	1	noname	0.1268
33	H13    -5.6760     1.9476    -1.7191	H	1	noname	0.1268
34	H14     3.7803    -1.5304    -2.0871	H	1	noname	0.0622
35	H15    -1.7875     2.3576     3.8556	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	2
10	6	11	1
11	7	12	1
12	8	13	1
13	9	14	2
14	10	15	1
15	11	16	2
16	12	17	2
17	12	18	1
18	13	19	2
19	14	19	1
20	15	20	2
21	16	20	1
22	4	21	1
23	7	22	1
24	8	23	1
25	9	24	1
26	10	25	1
27	11	26	1
28	13	27	1
29	14	28	1
30	15	29	1
31	16	30	1
32	17	31	1
33	18	32	1
34	18	33	1
35	19	34	1
36	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1