@<TRIPOS>MOLECULE
119058040
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6668    -1.1875    -0.7132	O.3	1	noname	-0.2383
2	N1    -0.2811    -2.6463    -1.6084	N.2	1	noname	-0.2202
3	N2    -2.4166    -2.6356    -2.3701	N.3	1	noname	-0.0998
4	C1    -0.5769    -1.3560     0.2052	C.3	1	noname	0.1141
5	C2     0.4922    -2.0174    -0.6691	C.3	1	noname	0.0821
6	C3    -0.2025    -0.1262     0.9817	C.2	1	noname	-0.0500
7	C4     1.3382    -0.9367    -1.3454	C.3	1	noname	-0.0396
8	C5    -1.4671    -2.1801    -1.5909	C.2	1	noname	-0.0530
9	C6     0.7186     0.8635     0.4594	C.2	1	noname	-0.0502
10	C7    -0.7479     0.0555     2.2996	C.2	1	noname	-0.0502
11	C8     0.6253     2.0688     2.6127	C.2	1	noname	-0.0584
12	C9     1.1422     1.9498     1.2776	C.2	1	noname	-0.0630
13	C10    -0.3300     1.1434     3.1252	C.2	1	noname	-0.0630
14	C11     1.0885     3.1614     3.4631	C.3	1	noname	-0.0023
15	H1    -0.8761    -2.1493     0.9079	H	1	noname	0.0684
16	H2     1.1531    -2.6898    -0.1221	H	1	noname	0.0580
17	H3     1.9536    -0.4362    -0.5978	H	1	noname	0.0253
18	H4     0.6829    -0.2085    -1.8233	H	1	noname	0.0253
19	H5     1.9807    -1.3956    -2.0969	H	1	noname	0.0253
20	H6     1.0645     0.7819    -0.4967	H	1	noname	0.0626
21	H7    -1.4439    -0.6026     2.6503	H	1	noname	0.0626
22	H8     1.8059     2.6363     0.9192	H	1	noname	0.0625
23	H9    -0.7087     1.2562     4.0655	H	1	noname	0.0625
24	H10    -3.2372    -2.1473    -2.1993	H	1	noname	0.1278
25	H11    -2.5580    -3.5783    -2.1903	H	1	noname	0.1278
26	H12     0.8468     4.1149     2.9935	H	1	noname	0.0279
27	H13     0.5970     3.0996     4.4340	H	1	noname	0.0279
28	H14     2.1676     3.0854     3.5967	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	4	1
2	1	8	1
3	2	5	1
4	2	8	2
5	3	8	1
6	3	24	1
7	3	25	1
8	4	5	1
9	4	6	1
10	4	15	1
11	5	7	1
12	5	16	1
13	6	9	2
14	6	10	1
15	7	17	1
16	7	18	1
17	7	19	1
18	9	12	1
19	9	20	1
20	10	13	2
21	10	21	1
22	11	12	2
23	11	13	1
24	11	14	1
25	12	22	1
26	13	23	1
27	14	26	1
28	14	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1