@<TRIPOS>MOLECULE
DB03015
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.8188    -2.2226     1.0572	O.3	1	noname	-0.3482
2	C1     2.1904    -1.4574     0.0410	C.3	1	noname	0.1623
3	C2     3.8084    -1.3154     1.5148	C.3	1	noname	0.1117
4	N1     1.0538    -2.1651    -0.4741	N.3	1	noname	0.0509
5	C3     1.9893    -0.0701     0.6783	C.3	1	noname	0.1259
6	C4     3.2209     0.0842     1.5360	C.3	1	noname	0.1127
7	C5     4.2447    -1.7069     2.9280	C.3	1	noname	0.0722
8	C6     1.1254    -3.3904    -1.0353	C.2	1	noname	0.0550
9	C7    -0.2564    -1.7978    -0.4981	C.2	1	noname	0.0045
10	O2     1.9924     0.9223    -0.3374	O.3	1	noname	-0.3857
11	O3     4.1228     0.9857     0.9112	O.3	1	noname	-0.3873
12	O4     4.7798    -3.0220     2.9110	O.3	1	noname	-0.3934
13	N2     2.1543    -4.2131    -1.2696	N.2	1	noname	0.1476
14	C8    -0.1824    -3.7346    -1.3774	C.2	1	noname	0.1121
15	N3    -1.0195    -2.7548    -1.0452	N.2	1	noname	-0.1892
16	C9     1.9656    -5.3635    -1.8340	C.2	1	noname	0.0258
17	C10    -0.4780    -5.0287    -2.0165	C.3	1	noname	0.1631
18	N4     0.7366    -5.7831    -2.2033	N.3	1	noname	-0.0746
19	O5    -1.3753    -5.7564    -1.1896	O.3	1	noname	-0.3717
20	H1     2.7656    -1.3881    -0.8822	H	1	noname	0.0854
21	H2     4.6344    -1.3887     0.8074	H	1	noname	0.0656
22	H3     1.0458     0.0880     1.2008	H	1	noname	0.0674
23	H4     3.0515     0.5129     2.5237	H	1	noname	0.0657
24	H5     5.0727    -1.0597     3.2172	H	1	noname	0.0591
25	H6     3.3534    -1.7637     3.5530	H	1	noname	0.0591
26	H7    -0.6473    -0.8514    -0.1242	H	1	noname	0.1018
27	H8     1.9951     0.4985    -1.1988	H	1	noname	0.2107
28	H9     4.6077     1.4703     1.5833	H	1	noname	0.2106
29	H10     4.9045    -3.3285     3.8122	H	1	noname	0.2101
30	H11     3.0978    -3.9591    -1.0140	H	1	noname	0.2954
31	H12     2.8472    -5.9827    -1.9993	H	1	noname	0.1411
32	H13    -0.9448    -4.8855    -2.9910	H	1	noname	0.0853
33	H14     0.7254    -6.6959    -2.6355	H	1	noname	0.1360
34	H15    -1.1683    -5.5885    -0.2674	H	1	noname	0.2126
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	6	1
11	6	11	1
12	7	12	1
13	8	13	1
14	8	14	2
15	9	15	2
16	13	16	2
17	14	17	1
18	14	15	1
19	16	18	1
20	17	19	1
21	17	18	1
22	2	20	1
23	3	21	1
24	5	22	1
25	6	23	1
26	7	24	1
27	7	25	1
28	9	26	1
29	10	27	1
30	11	28	1
31	12	29	1
32	13	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1