@<TRIPOS>MOLECULE
DB02603
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4644    -2.2880     0.1830	O.3	1	noname	-0.2305
2	C1    -1.0980    -1.1731     0.5698	C.2	1	noname	0.0819
3	C2     0.7591    -1.9331    -0.4762	C.3	1	noname	0.0580
4	N1    -1.9663    -0.5776    -0.2996	N.2	1	noname	-0.2647
5	C3    -0.9327    -0.6007     1.8582	C.2	1	noname	-0.0299
6	C4     1.5150    -3.2532    -0.7315	C.3	1	noname	-0.0172
7	C5    -2.6759     0.5697    -0.0304	C.2	1	noname	0.0311
8	N2    -0.1874    -0.9496     2.9174	N.2	1	noname	-0.2324
9	C6    -1.6428     0.5638     2.1447	C.2	1	noname	0.0747
10	C7     2.7898    -2.9984    -1.6181	C.3	1	noname	-0.0482
11	C8     1.7266    -3.9904     0.6493	C.3	1	noname	-0.0482
12	N3    -3.4988     1.0931    -0.9493	N.3	1	noname	-0.1172
13	C9    -2.5223     1.1878     1.2333	C.2	1	noname	-0.0333
14	C10    -0.4301    -0.0079     3.8544	C.2	1	noname	-0.0521
15	N4    -1.3048     0.9127     3.4031	N.3	1	noname	-0.0024
16	C11     4.0164    -3.8914    -1.2712	C.3	1	noname	-0.0529
17	C12     3.1303    -3.7899     1.2694	C.3	1	noname	-0.0529
18	C13     4.2914    -4.0722     0.2622	C.3	1	noname	-0.0533
19	H1     0.4745    -1.5044    -1.4371	H	1	noname	0.0575
20	H2     1.3291    -1.3390     0.2381	H	1	noname	0.0575
21	H3     0.9211    -3.9345    -1.3408	H	1	noname	0.0326
22	H4     2.5067    -3.2769    -2.6332	H	1	noname	0.0270
23	H5     3.1042    -1.9776    -1.4006	H	1	noname	0.0270
24	H6     1.0327    -3.5260     1.3500	H	1	noname	0.0270
25	H7     1.6547    -5.0572     0.4373	H	1	noname	0.0270
26	H8    -3.3394     2.0284    -1.2956	H	1	noname	0.1257
27	H9    -4.2784     0.5524    -1.2956	H	1	noname	0.1257
28	H10    -3.0564     2.1018     1.4925	H	1	noname	0.0676
29	H11     0.0214     0.0071     4.8464	H	1	noname	0.1013
30	H12    -1.6441     1.7155     3.9135	H	1	noname	0.1537
31	H13     3.7677    -4.8843    -1.6461	H	1	noname	0.0267
32	H14     4.8826    -3.3609    -1.6665	H	1	noname	0.0267
33	H15     3.1960    -2.7310     1.5197	H	1	noname	0.0267
34	H16     3.2188    -4.5417     2.0536	H	1	noname	0.0267
35	H17     4.5113    -5.1329     0.3836	H	1	noname	0.0266
36	H18     5.0510    -3.3275     0.4996	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	9	2
9	6	10	1
10	6	11	1
11	7	12	1
12	7	13	2
13	8	14	2
14	9	15	1
15	9	13	1
16	10	16	1
17	11	17	1
18	14	15	1
19	16	18	1
20	17	18	1
21	3	19	1
22	3	20	1
23	6	21	1
24	10	22	1
25	10	23	1
26	11	24	1
27	11	25	1
28	12	26	1
29	12	27	1
30	13	28	1
31	14	29	1
32	15	30	1
33	16	31	1
34	16	32	1
35	17	33	1
36	17	34	1
37	18	35	1
38	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1