@<TRIPOS>MOLECULE
DB00937
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9973    -1.7739    -1.4184	O.2	1	noname	-0.2921
2	C1    -0.3527    -1.3469    -0.4362	C.2	1	noname	0.1001
3	C2    -0.9010    -0.3658     0.3816	C.2	1	noname	-0.0180
4	C3     0.9761    -1.8787    -0.1480	C.3	1	noname	0.0705
5	C4    -0.1843     0.1091     1.4737	C.2	1	noname	-0.0178
6	C5    -2.1661     0.1405     0.1072	C.2	1	noname	-0.0178
7	N1     0.8840    -3.3184     0.0889	N.3	1	noname	-0.2940
8	C6     1.8999    -1.6159    -1.3390	C.3	1	noname	-0.0420
9	C7    -0.7326     1.0902     2.2915	C.2	1	noname	-0.0479
10	C8    -2.7145     1.1217     0.9250	C.2	1	noname	-0.0479
11	C9     0.0012    -3.5696     1.2269	C.3	1	noname	-0.0039
12	C10     2.2146    -3.8509     0.3775	C.3	1	noname	-0.0039
13	C11    -1.9977     1.5965     2.0171	C.2	1	noname	-0.0401
14	C12    -0.0952    -5.0763     1.4748	C.3	1	noname	-0.0524
15	C13     2.7797    -3.1643     1.6225	C.3	1	noname	-0.0524
16	H1     1.3409    -1.4053     0.7635	H	1	noname	0.0550
17	H2     0.8078    -0.2879     1.6889	H	1	noname	0.0630
18	H3    -2.7282    -0.2318    -0.7493	H	1	noname	0.0630
19	H4     2.2275    -2.5659    -1.7613	H	1	noname	0.0251
20	H5     1.3620    -1.0473    -2.0975	H	1	noname	0.0251
21	H6     2.7684    -1.0473    -1.0066	H	1	noname	0.0251
22	H7    -0.1705     1.4626     3.1480	H	1	noname	0.0622
23	H8    -3.7065     1.5187     0.7098	H	1	noname	0.0622
24	H9     0.4929    -3.1248     2.0921	H	1	noname	0.0427
25	H10    -0.9864    -3.2225     0.9231	H	1	noname	0.0427
26	H11     2.0706    -4.9039     0.6195	H	1	noname	0.0427
27	H12     2.8415    -3.5668    -0.4678	H	1	noname	0.0427
28	H13    -2.4277     2.3659     2.6584	H	1	noname	0.0622
29	H14    -0.1074    -5.2679     2.5478	H	1	noname	0.0243
30	H15    -1.0115    -5.4603     1.0267	H	1	noname	0.0243
31	H16     0.7648    -5.5740     1.0267	H	1	noname	0.0243
32	H17     3.1045    -3.9197     2.3381	H	1	noname	0.0243
33	H18     3.6290    -2.5421     1.3404	H	1	noname	0.0243
34	H19     2.0082    -2.5421     2.0760	H	1	noname	0.0243
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	6	10	2
10	7	11	1
11	7	12	1
12	9	13	2
13	10	13	1
14	11	14	1
15	12	15	1
16	4	16	1
17	5	17	1
18	6	18	1
19	8	19	1
20	8	20	1
21	8	21	1
22	9	22	1
23	10	23	1
24	11	24	1
25	11	25	1
26	12	26	1
27	12	27	1
28	13	28	1
29	14	29	1
30	14	30	1
31	14	31	1
32	15	32	1
33	15	33	1
34	15	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1