@<TRIPOS>MOLECULE
76968081
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9623     2.0656    -0.6747	O.3	1	noname	-0.3870
2	N1     5.4684    -0.2610    -0.0676	N.3	1	noname	-0.3115
3	C1     3.5883     1.2253     0.4072	C.3	1	noname	0.0916
4	C2     4.0179    -0.2124     0.1084	C.3	1	noname	0.0258
5	C3     2.1397     1.2738     0.5829	C.2	1	noname	-0.0367
6	C4     5.8789    -1.6349    -0.3531	C.3	1	noname	0.0013
7	C5     1.3004     0.8810    -0.4531	C.2	1	noname	-0.0342
8	C6    -0.0787     0.9272    -0.2858	C.2	1	noname	-0.0375
9	C7     1.5999     1.7129     1.7862	C.2	1	noname	-0.0434
10	C8    -0.6185     1.3663     0.9175	C.2	1	noname	-0.0399
11	C9     7.3970    -1.6857    -0.5373	C.3	1	noname	-0.0500
12	C10     5.1935    -2.1163    -1.6334	C.3	1	noname	-0.0500
13	C11     0.2208     1.7591     1.9535	C.2	1	noname	-0.0437
14	C12    -0.9181     0.5344    -1.3219	C.2	1	noname	-0.0471
15	C13    -1.9977     1.4125     1.0848	C.2	1	noname	-0.0476
16	C14    -2.2972     0.5806    -1.1546	C.2	1	noname	-0.0569
17	C15    -2.8370     1.0196     0.0487	C.2	1	noname	-0.0570
18	H1     4.0766     1.5683     1.3193	H	1	noname	0.0665
19	H2     3.7308    -0.8575     0.9388	H	1	noname	0.0458
20	H3     3.5295    -0.5554    -0.8038	H	1	noname	0.0458
21	H4     5.5919    -2.2799     0.4773	H	1	noname	0.0459
22	H5     5.9263     0.0606     0.7876	H	1	noname	0.1225
23	H6     1.6965     0.5588    -1.3361	H	1	noname	0.0632
24	H7     2.2158     2.0011     2.5464	H	1	noname	0.0626
25	H8     5.4995    -3.1406    -1.8463	H	1	noname	0.0246
26	H9     7.7030    -2.7100    -0.7501	H	1	noname	0.0246
27	H10     7.6840    -1.0407    -1.3677	H	1	noname	0.0246
28	H11     7.8853    -1.3427     0.3749	H	1	noname	0.0246
29	H12     4.1120    -2.0801    -1.5023	H	1	noname	0.0246
30	H13     5.4806    -1.4713    -2.4639	H	1	noname	0.0246
31	H14    -0.1753     2.0813     2.8365	H	1	noname	0.0629
32	H15    -0.5219     0.2122    -2.2049	H	1	noname	0.0629
33	H16     3.6871     2.9865    -0.4833	H	1	noname	0.2109
34	H17    -2.3938     1.7346     1.9678	H	1	noname	0.0629
35	H18    -2.9131     0.2923    -1.9148	H	1	noname	0.0622
36	H19    -3.8490     1.0536     0.1715	H	1	noname	0.0622
@<TRIPOS>BOND
1	3	1	1
2	1	33	1
3	2	4	1
4	2	6	1
5	2	22	1
6	3	4	1
7	3	5	1
8	3	18	1
9	4	19	1
10	4	20	1
11	5	7	2
12	5	9	1
13	6	11	1
14	6	12	1
15	6	21	1
16	7	8	1
17	7	23	1
18	8	10	1
19	8	14	2
20	9	13	2
21	9	24	1
22	10	13	1
23	10	15	2
24	11	26	1
25	11	27	1
26	11	28	1
27	12	25	1
28	12	29	1
29	12	30	1
30	13	31	1
31	14	16	1
32	14	32	1
33	15	17	1
34	15	34	1
35	16	17	2
36	16	35	1
37	17	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1