@<TRIPOS>MOLECULE
DB03749
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9628    -1.0121     0.3659	O.3	1	noname	-0.2801
2	C1     1.3868     0.1930     0.1700	C.2	1	noname	0.0253
3	C2    -0.0497     0.2852     0.0888	C.2	1	noname	-0.0166
4	C3     2.2163     1.3580     0.0465	C.2	1	noname	0.0011
5	C4    -0.8945    -0.8881    -0.0104	C.2	1	noname	0.0526
6	C5    -0.6528     1.5947    -0.0446	C.2	1	noname	-0.0176
7	C6     1.5770     2.6233    -0.1542	C.2	1	noname	0.0124
8	N1    -2.2359    -0.8497     0.1561	N.2	1	noname	-0.3002
9	C7    -0.6224    -2.2321    -0.3800	C.2	1	noname	0.0358
10	C8     0.1534     2.7739    -0.1826	C.2	1	noname	-0.0328
11	O2     2.3477     3.7186    -0.3235	O.3	1	noname	-0.2833
12	N2    -2.8005    -1.9615    -0.1797	N.3	1	noname	-0.0251
13	C9     0.5566    -3.0506    -0.4141	C.2	1	noname	0.0271
14	C10    -1.8682    -2.8299    -0.5712	C.2	1	noname	-0.0494
15	C11    -0.4600     4.0886    -0.3470	C.3	1	noname	0.0135
16	N3     0.7651    -4.1750    -1.1375	N.2	1	noname	-0.2284
17	C12     1.6808    -2.9334     0.4050	C.2	1	noname	-0.0653
18	C13    -0.6843     4.7222     1.0274	C.3	1	noname	-0.0612
19	C14     1.9695    -4.6935    -0.8211	C.2	1	noname	-0.0485
20	N4     2.5338    -3.9297     0.1217	N.3	1	noname	-0.0510
21	H1     2.0427    -1.1793     1.3078	H	1	noname	0.2182
22	H2     3.3022     1.2839     0.1035	H	1	noname	0.0677
23	H3    -1.7382     1.6950    -0.0410	H	1	noname	0.0634
24	H4     2.5957     4.0712     0.5343	H	1	noname	0.2182
25	H5    -3.7968    -2.1236    -0.1427	H	1	noname	0.1747
26	H6    -2.0806    -3.8234    -0.9660	H	1	noname	0.0813
27	H7     0.2738     4.6979    -0.8746	H	1	noname	0.0314
28	H8    -1.4393     3.9090    -0.7905	H	1	noname	0.0314
29	H9     1.8667    -2.1701     1.1606	H	1	noname	0.0812
30	H10    -0.8061     3.9373     1.7739	H	1	noname	0.0234
31	H11     0.1751     5.3404     1.2872	H	1	noname	0.0234
32	H12    -1.5817     5.3404     1.0005	H	1	noname	0.0234
33	H13     2.4155    -5.5872    -1.2576	H	1	noname	0.1013
34	H14     3.4396    -4.0783     0.5431	H	1	noname	0.1531
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	1
13	9	13	1
14	9	14	2
15	10	15	1
16	12	14	1
17	13	16	1
18	13	17	2
19	15	18	1
20	16	19	2
21	17	20	1
22	19	20	1
23	1	21	1
24	4	22	1
25	6	23	1
26	11	24	1
27	12	25	1
28	14	26	1
29	15	27	1
30	15	28	1
31	17	29	1
32	18	30	1
33	18	31	1
34	18	32	1
35	19	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1