@<TRIPOS>MOLECULE
DB07071
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5520    -0.4561    -0.8882	O.3	1	noname	-0.2728
2	C1    -2.1483    -1.4250    -1.7446	C.3	1	noname	0.0886
3	B1    -0.6000    -1.3530    -0.0910	B	1	noname	0.1233
4	C2    -1.0798    -2.5036    -2.0004	C.3	1	noname	0.0594
5	C3    -2.5344    -0.7653    -3.0700	C.3	1	noname	0.0701
6	O2    -0.3761    -2.7150    -0.7704	O.3	1	noname	-0.2761
7	C4     0.3532    -0.7818     1.0345	C.2	1	noname	-0.0403
8	O3    -3.4600     0.2833    -2.8248	O.3	1	noname	-0.3935
9	C5     1.5345    -0.0657     0.6410	C.2	1	noname	-0.0263
10	C6    -0.0095    -0.9390     2.4171	C.2	1	noname	-0.0263
11	C7     2.3675     0.5252     1.6418	C.2	1	noname	-0.0511
12	C8     0.8205    -0.3482     3.4223	C.2	1	noname	-0.0511
13	C9     1.9891     0.3776     3.0113	C.2	1	noname	-0.0312
14	C10     2.8269     0.9915     4.0375	C.3	1	noname	0.0178
15	C11     2.3381     2.4154     4.3103	C.3	1	noname	0.0064
16	N1     3.1472     3.0082     5.3013	N.3	1	noname	-0.1249
17	C12     2.7288     4.2274     5.5349	C.2	1	noname	-0.1455
18	N2     3.3219     4.9498     6.4021	N.2	1	noname	-0.2746
19	N3     1.7009     4.7044     4.8776	N.3	1	noname	-0.1344
20	H1    -3.0364    -1.8069    -1.2412	H	1	noname	0.0634
21	H2    -1.5864    -3.4430    -2.2215	H	1	noname	0.0576
22	H3    -0.3470    -2.1018    -2.7001	H	1	noname	0.0576
23	H4    -1.6470    -0.2806    -3.4771	H	1	noname	0.0591
24	H5    -3.0771    -1.4985    -3.6666	H	1	noname	0.0591
25	H6    -3.5652     0.4025    -1.8780	H	1	noname	0.2101
26	H7     1.7977     0.0288    -0.4125	H	1	noname	0.0618
27	H8    -0.9014    -1.4984     2.6993	H	1	noname	0.0618
28	H9     3.2682     1.0743     1.3675	H	1	noname	0.0625
29	H10     0.5682    -0.4488     4.4779	H	1	noname	0.0625
30	H11     2.6656     0.4086     4.9443	H	1	noname	0.0329
31	H12     3.8253     1.0631     3.6060	H	1	noname	0.0329
32	H13     2.5020     3.0091     3.4110	H	1	noname	0.0436
33	H14     1.3423     2.3546     4.7493	H	1	noname	0.0436
34	H15     3.9356     2.6059     5.7877	H	1	noname	0.1306
35	H16     3.0675     4.6399     7.3292	H	1	noname	0.1898
36	H17     1.6729     5.6817     4.6241	H	1	noname	0.1267
37	H18     0.9365     4.0948     4.6241	H	1	noname	0.1267
@<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	6	1
8	5	8	1
9	7	9	2
10	7	10	1
11	9	11	1
12	10	12	2
13	11	13	2
14	12	13	1
15	13	14	1
16	14	15	1
17	15	16	1
18	16	17	1
19	17	18	2
20	17	19	1
21	2	20	1
22	4	21	1
23	4	22	1
24	5	23	1
25	5	24	1
26	8	25	1
27	9	26	1
28	10	27	1
29	11	28	1
30	12	29	1
31	14	30	1
32	14	31	1
33	15	32	1
34	15	33	1
35	16	34	1
36	18	35	1
37	19	36	1
38	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1