@<TRIPOS>MOLECULE
DB01400
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2763    -2.7571    -0.5973	O.2	1	noname	-0.2485
2	C1    -0.7049    -1.6821    -0.3136	C.2	1	noname	0.0653
3	O2    -1.4076    -0.6686     0.2355	O.3	1	noname	-0.1443
4	N1     0.6051    -1.5358    -0.5545	N.3	1	noname	-0.0295
5	C2    -0.7904     0.4923     0.5419	C.2	1	noname	0.0311
6	C3     1.2065    -2.2279    -1.6257	C.3	1	noname	-0.0037
7	C4     1.3821    -0.6898     0.2631	C.3	1	noname	-0.0037
8	C5     0.5536     0.4925     0.8962	C.2	1	noname	0.0366
9	C6    -1.4991     1.6875     0.5031	C.2	1	noname	-0.0067
10	C7     1.1891     1.6878     1.2117	C.2	1	noname	0.0236
11	C8    -0.8637     2.8828     0.8186	C.2	1	noname	-0.0244
12	N2     2.5351     1.6880     1.5665	N.4	1	noname	0.0351
13	C9     0.4804     2.8830     1.1728	C.2	1	noname	-0.0079
14	C10     2.6575     1.5243     3.0141	C.3	1	noname	-0.0162
15	C11     3.1444     2.9553     1.1661	C.3	1	noname	-0.0162
16	C12     3.2171     0.5848     0.8918	C.3	1	noname	-0.0162
17	H1     1.1145    -3.3016    -1.4619	H	1	noname	0.0400
18	H2     0.7089    -1.9586    -2.5573	H	1	noname	0.0400
19	H3     2.2610    -1.9586    -1.6859	H	1	noname	0.0400
20	H4     1.1792    -0.9107     1.3111	H	1	noname	0.0400
21	H5     2.4394    -0.8544     0.0552	H	1	noname	0.0400
22	H6     1.1284     0.3497     0.0552	H	1	noname	0.0400
23	H7     1.1094    -0.4447     0.9267	H	1	noname	0.0722
24	H8    -2.5531     1.6873     0.2253	H	1	noname	0.0650
25	H9    -1.4194     3.8200     0.7881	H	1	noname	0.0626
26	H10     0.9787     3.8203     1.4202	H	1	noname	0.0694
27	H11     2.6782     0.4624     3.2592	H	1	noname	0.0907
28	H12     3.5796     1.9942     3.3562	H	1	noname	0.0907
29	H13     1.8060     1.9942     3.5062	H	1	noname	0.0907
30	H14     3.4178     3.5238     2.0550	H	1	noname	0.0907
31	H15     4.0370     2.7577     0.5725	H	1	noname	0.0907
32	H16     2.4328     3.5291     0.5725	H	1	noname	0.0907
33	H17     3.6359    -0.0928     1.6359	H	1	noname	0.0907
34	H18     2.5048     0.0443     0.2683	H	1	noname	0.0907
35	H19     4.0189     0.9802     0.2683	H	1	noname	0.0907
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	2
8	5	9	1
9	8	10	1
10	9	11	2
11	10	12	1
12	10	13	2
13	11	13	1
14	12	14	1
15	12	15	1
16	12	16	1
17	6	17	1
18	6	18	1
19	6	19	1
20	7	20	1
21	7	21	1
22	7	22	1
23	8	23	1
24	9	24	1
25	11	25	1
26	13	26	1
27	14	27	1
28	14	28	1
29	14	29	1
30	15	30	1
31	15	31	1
32	15	32	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1