@<TRIPOS>MOLECULE
101810537
19 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.3771     1.7102    -0.1913	S.3	1	noname	-0.0779
2	N1     1.2652    -0.0185    -0.0317	N.3	1	noname	-0.0275
3	N2     0.6847     2.1194     0.0477	N.2	1	noname	-0.2190
4	C1    -0.0679     0.0346     0.0649	C.2	1	noname	-0.0619
5	C2    -0.4370     1.3936     0.1152	C.2	1	noname	0.0030
6	C3    -2.4153    -0.6139    -0.0381	C.2	1	noname	-0.0447
7	C4    -1.0340    -1.0061    -0.0034	C.2	1	noname	-0.0396
8	C5    -1.7977     1.8053     0.1033	C.2	1	noname	-0.0120
9	C6    -2.7920     0.7726     0.0160	C.2	1	noname	-0.0475
10	C7    -3.4518    -1.6380    -0.1298	C.3	1	noname	-0.0003
11	C8     1.7142     1.2535    -0.0534	C.2	1	noname	-0.0136
12	H1    -0.7585    -1.9878    -0.0266	H	1	noname	0.0645
13	H2    -2.0564     2.7907     0.1545	H	1	noname	0.0646
14	H3    -3.7796     1.0265    -0.0079	H	1	noname	0.0626
15	H4     1.8076    -0.8213    -0.0776	H	1	noname	0.1548
16	H5    -3.3834    -2.3024     0.7317	H	1	noname	0.0279
17	H6    -4.4324    -1.1622    -0.1446	H	1	noname	0.0279
18	H7    -3.3136    -2.2141    -1.0447	H	1	noname	0.0279
19	H8     3.4771     3.0665    -0.1816	H	1	noname	0.1107
@<TRIPOS>BOND
1	1	11	1
2	1	19	1
3	2	4	1
4	2	11	1
5	2	15	1
6	3	5	1
7	3	11	2
8	4	5	2
9	4	7	1
10	5	8	1
11	6	7	2
12	6	9	1
13	6	10	1
14	7	12	1
15	8	9	2
16	8	13	1
17	9	14	1
18	10	16	1
19	10	17	1
20	10	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1