@<TRIPOS>MOLECULE
71350052
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8472    -1.7648     0.9657	O.3	1	noname	-0.3673
2	N1    -1.2608    -5.3912     0.4512	N.3	1	noname	-0.3282
3	C1    -0.8205    -0.6652     0.0677	C.3	1	noname	0.1080
4	C2     0.2768    -0.8373    -0.8800	C.2	1	noname	-0.0466
5	C3    -0.6255     0.5717     0.8185	C.2	1	noname	-0.0404
6	C4     1.4238    -1.5233    -0.4981	C.2	1	noname	-0.0455
7	C5     0.1744    -0.3151    -2.1641	C.2	1	noname	-0.0499
8	C6    -1.0368    -2.9678     0.2355	C.3	1	noname	0.0602
9	C7    -1.5491     0.9505     1.7858	C.2	1	noname	-0.0477
10	C8     0.4837     1.3705     0.5660	C.2	1	noname	-0.0477
11	C9     2.4684    -1.6872    -1.4003	C.2	1	noname	-0.0636
12	C10     1.5313    -2.0718     0.8507	C.3	1	noname	0.0012
13	C11     1.2190    -0.4790    -3.0663	C.2	1	noname	-0.0672
14	C12     2.3660    -1.1651    -2.6844	C.2	1	noname	-0.0630
15	C13    -1.0656    -4.1526     1.2031	C.3	1	noname	0.0160
16	C14    -1.3635     2.1281     2.5006	C.2	1	noname	-0.0580
17	C15     0.6692     2.5481     1.2809	C.2	1	noname	-0.0580
18	C16    -0.2543     2.9269     2.2481	C.2	1	noname	-0.0610
19	H1    -1.7647    -0.6160    -0.4747	H	1	noname	0.0707
20	H2    -0.6673     0.1883    -2.4443	H	1	noname	0.0626
21	H3    -1.9810    -2.9186    -0.3069	H	1	noname	0.0580
22	H4    -0.2176    -3.0963    -0.4720	H	1	noname	0.0580
23	H5    -2.3630     0.3643     1.9710	H	1	noname	0.0626
24	H6     1.1614     1.0926    -0.1438	H	1	noname	0.0626
25	H7     3.3101    -2.1907    -1.1201	H	1	noname	0.0625
26	H8     1.6633    -3.1523     0.7941	H	1	noname	0.0280
27	H9     0.6226    -1.8455     1.4085	H	1	noname	0.0280
28	H10     2.3883    -1.6271     1.3565	H	1	noname	0.0280
29	H11     1.1439    -0.0958    -4.0086	H	1	noname	0.0622
30	H12     3.1326    -1.2853    -3.3465	H	1	noname	0.0622
31	H13    -1.8847    -4.0241     1.9106	H	1	noname	0.0449
32	H14    -0.1214    -4.2018     1.7455	H	1	noname	0.0449
33	H15    -2.0412     2.4060     3.2104	H	1	noname	0.0622
34	H16     1.4832     3.1343     1.0956	H	1	noname	0.0622
35	H17    -0.1181     3.7910     2.7727	H	1	noname	0.0622
36	H18    -1.2800    -6.1826     1.0976	H	1	noname	0.1185
37	H19    -2.1461    -5.3451    -0.0573	H	1	noname	0.1185
@<TRIPOS>BOND
1	1	3	1
2	1	8	1
3	2	15	1
4	2	36	1
5	2	37	1
6	3	4	1
7	3	5	1
8	3	19	1
9	4	6	1
10	4	7	2
11	5	9	2
12	5	10	1
13	6	11	2
14	6	12	1
15	7	13	1
16	7	20	1
17	8	15	1
18	8	21	1
19	8	22	1
20	9	16	1
21	9	23	1
22	10	17	2
23	10	24	1
24	11	14	1
25	11	25	1
26	12	26	1
27	12	27	1
28	12	28	1
29	13	14	2
30	13	29	1
31	14	30	1
32	15	31	1
33	15	32	1
34	16	18	2
35	16	33	1
36	17	18	1
37	17	34	1
38	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1