@<TRIPOS>MOLECULE
119057571
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0336    -1.1695    -0.3052	O.2	1	noname	-0.2921
2	N1     1.3293    -2.5238    -0.4172	N.3	1	noname	-0.3049
3	C1    -0.1330    -2.3798    -0.4495	C.3	1	noname	0.0711
4	C2    -0.7687    -3.4231     0.4716	C.3	1	noname	-0.0305
5	C3     1.6972    -3.8638    -0.8716	C.3	1	noname	0.0018
6	C4    -0.2671    -3.2139     1.9018	C.3	1	noname	-0.0542
7	C5    -0.7912    -1.0636    -0.2362	C.2	1	noname	0.1001
8	C6     3.2195    -4.0136    -0.8379	C.3	1	noname	-0.0500
9	C7     1.1957    -4.0730    -2.3018	C.3	1	noname	-0.0500
10	C8    -0.1971     0.2291     0.0229	C.2	1	noname	-0.0180
11	C9    -0.9028    -4.2572     2.8229	C.3	1	noname	-0.0653
12	C10     1.2098     0.4407     0.1178	C.2	1	noname	-0.0178
13	C11    -1.0316     1.3844     0.1999	C.2	1	noname	-0.0178
14	C12     1.7799     1.6978     0.3695	C.2	1	noname	-0.0479
15	C13    -0.4662     2.6596     0.4547	C.2	1	noname	-0.0479
16	C14     0.9319     2.8115     0.5383	C.2	1	noname	-0.0401
17	H1    -0.4778    -2.7142    -1.4280	H	1	noname	0.0550
18	H2    -1.8532    -3.3163     0.4476	H	1	noname	0.0287
19	H3    -0.4944    -4.4221     0.1328	H	1	noname	0.0287
20	H4     1.2444    -4.6070    -0.2154	H	1	noname	0.0459
21	H5     1.6643    -2.3840     0.5382	H	1	noname	0.1231
22	H6    -0.5414    -2.2149     2.2405	H	1	noname	0.0264
23	H7     0.8174    -3.3207     1.9258	H	1	noname	0.0264
24	H8     3.4938    -5.0127    -1.1767	H	1	noname	0.0246
25	H9     3.5768    -3.8646     0.1810	H	1	noname	0.0246
26	H10     3.6724    -3.2704    -1.4941	H	1	noname	0.0246
27	H11     1.4700    -5.0720    -2.6406	H	1	noname	0.0246
28	H12     0.1112    -3.9662    -2.3258	H	1	noname	0.0246
29	H13     1.6485    -3.3297    -2.9580	H	1	noname	0.0246
30	H14    -0.5454    -4.1082     3.8418	H	1	noname	0.0230
31	H15    -1.9873    -4.1504     2.7989	H	1	noname	0.0230
32	H16    -0.6284    -5.2562     2.4841	H	1	noname	0.0230
33	H17     1.8914    -0.3023     0.0098	H	1	noname	0.0630
34	H18    -2.0705     1.3199     0.1466	H	1	noname	0.0630
35	H19     2.7951     1.8037     0.4294	H	1	noname	0.0622
36	H20    -1.0866     3.4789     0.5791	H	1	noname	0.0622
37	H21     1.3600     3.7363     0.7238	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	7	2
2	2	3	1
3	2	5	1
4	2	21	1
5	3	4	1
6	3	7	1
7	3	17	1
8	4	6	1
9	4	18	1
10	4	19	1
11	5	8	1
12	5	9	1
13	5	20	1
14	6	11	1
15	6	22	1
16	6	23	1
17	7	10	1
18	8	24	1
19	8	25	1
20	8	26	1
21	9	27	1
22	9	28	1
23	9	29	1
24	10	12	2
25	10	13	1
26	11	30	1
27	11	31	1
28	11	32	1
29	12	14	1
30	12	33	1
31	13	15	2
32	13	34	1
33	14	16	2
34	14	35	1
35	15	16	1
36	15	36	1
37	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1