@<TRIPOS>MOLECULE
76956848
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     4.9833     2.0363     0.3536	N.3	1	noname	-0.3051
2	C1     3.6478     2.2372    -0.3539	C.3	1	noname	0.0228
3	C2     2.3781     1.5368     0.2972	C.3	1	noname	0.0250
4	C3     3.1851     3.7265    -0.5533	C.3	1	noname	-0.0030
5	C4     1.9863     3.8416    -1.5499	C.3	1	noname	0.0110
6	C5     1.1705     1.6588    -0.5351	C.2	1	noname	-0.0572
7	C6     1.9672     2.1603     1.6724	C.3	1	noname	-0.0266
8	C7     0.9649     2.7684    -1.3769	C.2	1	noname	-0.0563
9	C8     2.8293     4.3046     0.7365	C.2	1	noname	-0.0848
10	C9     2.2711     3.5995     1.7470	C.2	1	noname	-0.0861
11	C10     0.1415     0.6996    -0.3525	C.2	1	noname	-0.0620
12	C11    -0.2651     2.8799    -2.0599	C.2	1	noname	-0.0644
13	C12     5.2423     2.7161     1.6756	C.3	1	noname	-0.0133
14	C13     5.4091     0.6072     0.3938	C.3	1	noname	-0.0133
15	C14    -1.0921     0.8569    -0.9936	C.2	1	noname	-0.0689
16	C15    -1.2899     1.9385    -1.8564	C.2	1	noname	-0.0676
17	H1     3.7534     1.8308    -1.3894	H	1	noname	0.0479
18	H2     2.5865     0.4689     0.3872	H	1	noname	0.0371
19	H3     4.0176     4.2855    -0.9858	H	1	noname	0.0365
20	H4     1.5049     4.8229    -1.4230	H	1	noname	0.0322
21	H5     2.3521     3.8002    -2.5835	H	1	noname	0.0322
22	H6     0.9069     1.9893     1.9333	H	1	noname	0.0316
23	H7     2.5156     1.6300     2.4515	H	1	noname	0.0316
24	H8     2.9928     5.2795     0.8699	H	1	noname	0.0576
25	H9     2.0904     4.0722     2.5969	H	1	noname	0.0572
26	H10     0.2691    -0.1007     0.2791	H	1	noname	0.0625
27	H11    -0.4235     3.6619    -2.6982	H	1	noname	0.0625
28	H12     6.2671     2.6113     2.0499	H	1	noname	0.0394
29	H13     6.3886     0.4676     0.8492	H	1	noname	0.0394
30	H14     4.6937     0.0450     0.9862	H	1	noname	0.0394
31	H15     5.4538     0.1597    -0.6160	H	1	noname	0.0394
32	H16     4.5822     2.2301     2.4102	H	1	noname	0.0394
33	H17     4.9392     3.7616     1.6185	H	1	noname	0.0394
34	H18    -1.8472     0.1840    -0.8144	H	1	noname	0.0622
35	H19    -2.1798     2.0517    -2.3410	H	1	noname	0.0622
@<TRIPOS>BOND
1	2	1	1
2	1	13	1
3	1	14	1
4	2	3	1
5	2	4	1
6	2	17	1
7	3	6	1
8	3	7	1
9	3	18	1
10	4	5	1
11	4	9	1
12	4	19	1
13	5	8	1
14	5	20	1
15	5	21	1
16	6	8	1
17	6	11	2
18	7	10	1
19	7	22	1
20	7	23	1
21	8	12	2
22	9	10	2
23	9	24	1
24	10	25	1
25	11	15	1
26	11	26	1
27	12	16	1
28	12	27	1
29	13	28	1
30	13	32	1
31	13	33	1
32	14	29	1
33	14	30	1
34	14	31	1
35	15	16	2
36	15	34	1
37	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1