@<TRIPOS>MOLECULE
DB01463
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     2.1921    -1.4465    -0.2603	N.3	1	noname	-0.3133
2	C1     1.7069    -0.3210     0.5368	C.3	1	noname	0.0168
3	C2     1.7737    -2.7012     0.3627	C.3	1	noname	-0.0074
4	C3     2.1500     1.0080    -0.1231	C.3	1	noname	0.0240
5	C4     0.1500    -0.2244     0.4095	C.3	1	noname	-0.0250
6	C5     2.2815    -3.8790    -0.4715	C.3	1	noname	-0.0527
7	C6     2.7124     1.8923     0.8935	C.2	1	noname	-0.0548
8	C7     0.7725     1.5713    -0.5991	C.3	1	noname	-0.0327
9	C8    -0.1517     1.2647     0.5800	C.3	1	noname	-0.0454
10	C9    -0.3463    -0.4799    -1.0396	C.3	1	noname	-0.0486
11	C10     4.0269     2.3304     0.7833	C.2	1	noname	-0.0610
12	C11     1.9333     2.2961     1.9714	C.2	1	noname	-0.0610
13	C12     0.1130     0.8006    -1.7793	C.3	1	noname	-0.0495
14	C13     4.5623     3.1723     1.7511	C.2	1	noname	-0.0622
15	C14     2.4687     3.1380     2.9392	C.2	1	noname	-0.0622
16	C15     3.7832     3.5761     2.8291	C.2	1	noname	-0.0667
17	H1     2.7327    -1.3691    -1.1099	H	1	noname	0.1225
18	H2     2.1026    -0.5102     1.5347	H	1	noname	0.0474
19	H3     2.2786    -2.7400     1.3280	H	1	noname	0.0425
20	H4     0.6847    -2.7108     0.3165	H	1	noname	0.0425
21	H5     2.9368     0.9339    -0.8738	H	1	noname	0.0371
22	H6    -0.3128    -0.9179     1.1116	H	1	noname	0.0319
23	H7     2.6240    -4.6732     0.1919	H	1	noname	0.0243
24	H8     1.4740    -4.2538    -1.1003	H	1	noname	0.0243
25	H9     3.1085    -3.5490    -1.1003	H	1	noname	0.0243
26	H10     0.9031     2.6108    -0.9000	H	1	noname	0.0309
27	H11    -1.1892     1.4812     0.3255	H	1	noname	0.0273
28	H12     0.2709     1.6412     1.5116	H	1	noname	0.0273
29	H13     0.2074    -1.3259    -1.4469	H	1	noname	0.0270
30	H14    -1.4362    -0.4956    -1.0303	H	1	noname	0.0270
31	H15     4.6379     2.0138    -0.0621	H	1	noname	0.0625
32	H16     0.9024     1.9525     2.0578	H	1	noname	0.0625
33	H17    -0.7694     1.3494    -2.1083	H	1	noname	0.0270
34	H18     0.8862     0.5302    -2.4984	H	1	noname	0.0270
35	H19     5.5932     3.5159     1.6647	H	1	noname	0.0622
36	H20     1.8577     3.4546     3.7846	H	1	noname	0.0622
37	H21     4.2031     4.2363     3.5880	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	7	11	2
11	7	12	1
12	8	13	1
13	8	9	1
14	10	13	1
15	11	14	1
16	12	15	2
17	14	16	2
18	15	16	1
19	1	17	1
20	2	18	1
21	3	19	1
22	3	20	1
23	4	21	1
24	5	22	1
25	6	23	1
26	6	24	1
27	6	25	1
28	8	26	1
29	9	27	1
30	9	28	1
31	10	29	1
32	10	30	1
33	11	31	1
34	12	32	1
35	13	33	1
36	13	34	1
37	14	35	1
38	15	36	1
39	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1