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# Name: TL121M
# Creating user name: martin
# Creation time: Sat Apr 23 14:16:54 1994
# Modifying user name: martin
# Modification time: Sun Apr 21 19:36:30 1996
@<TRIPOS>MOLECULE
TL121M
39 41 1 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 -1.2940 -5.0261 0.3570 C.3 1 <1> -0.2620
2 C2 -0.4180 -4.8180 1.6020 C.3 1 <1> 0.0964
3 N3 0.7950 -4.0015 1.4270 N.3 1 <1> -0.3130
4 C4 1.7840 -4.7240 0.6150 C.3 1 <1> -0.1540
5 C5 3.1220 -3.9810 0.5600 C.3 1 <1> -0.1960
6 C6 2.9230 -2.5580 0.0290 C.3 1 <1> -0.2270
7 C7 1.8650 -1.8210 0.8710 C.3 1 <1> 0.2170
8 C8 0.5580 -2.6530 0.8740 C.3 1 <1> -0.2100
9 C9 -0.5000 -1.8470 1.6440 C.3 1 <1> -0.2750
10 C10 -0.8370 -0.5690 0.8680 C.3 1 <1> -0.2770
11 C11 0.3780 0.2150 0.4440 C.ar 1 <1> 0.1670
12 C12 1.6520 -0.3730 0.4530 C.ar 1 <1> -0.1950
13 C13 2.7380 0.4310 0.0928 C.ar 1 <1> -0.1620
14 C14 2.5570 1.7560 -0.3000 C.ar 1 <1> -0.2150
15 C15 1.2850 2.3300 -0.3380 C.ar 1 <1> 0.2850
16 O16 1.1170 3.6240 -0.7270 O.3 1 <1> -0.5120
17 C17 0.1860 1.5500 0.0473 C.ar 1 <1> 0.1930
18 O18 -1.0585 2.1040 0.0232 O.3 1 <1> -0.5080
19 H19 -2.1720 -5.6670 0.6030 H 1 <1> 0.0729
20 H20 -0.7450 -5.5360 -0.4650 H 1 <1> 0.0635
21 H21 -1.7010 -4.0693 -0.0402 H 1 <1> 0.0829
22 H22 -0.1240 -5.8200 1.9970 H 1 <1> 0.0515
23 H23 -1.0366 -4.3910 2.4260 H 1 <1> 0.0209
24 H24 1.9680 -5.7370 1.0472 H 1 <1> 0.1090
25 H25 1.4100 -4.8680 -0.4250 H 1 <1> 0.1200
26 H26 3.8440 -4.5350 -0.0858 H 1 <1> 0.0853
27 H27 3.5620 -3.9400 1.5850 H 1 <1> 0.0960
28 H28 3.9170 -2.0570 0.0604 H 1 <1> 0.0772
29 H29 2.5970 -2.5880 -1.0377 H 1 <1> 0.1070
30 H30 2.2430 -1.7710 1.9210 H 1 <1> 0.0898
31 H31 0.2120 -2.7540 -0.1820 H 1 <1> 0.1870
32 H32 -0.1190 -1.6020 2.6640 H 1 <1> 0.1330
33 H33 -1.4560 -2.4020 1.7770 H 1 <1> 0.1530
34 H34 -1.4080 -0.8290 -0.0541 H 1 <1> 0.1000
35 H35 -1.5000 0.0614 1.5060 H 1 <1> 0.1130
36 H36 3.7690 0.0484 0.1170 H 1 <1> 0.1080
37 H37 3.4320 2.3650 -0.5840 H 1 <1> 0.0962
38 H38 1.9820 4.0119 -0.9380 H 1 <1> 0.3330
39 H39 -0.9900 3.0195 -0.2960 H 1 <1> 0.3470
@<TRIPOS>BOND
1 1 2 1
2 2 3 1
3 3 4 1
4 3 8 1
5 4 5 1
6 5 6 1
7 6 7 1
8 7 8 1
9 7 12 1
10 8 9 1
11 9 10 1
12 10 11 1
13 11 12 ar
14 11 17 ar
15 12 13 ar
16 13 14 ar
17 14 15 ar
18 15 16 1
19 15 17 ar
20 17 18 1
21 1 19 1
22 1 20 1
23 1 21 1
24 2 22 1
25 2 23 1
26 4 24 1
27 4 25 1
28 5 26 1
29 5 27 1
30 6 28 1
31 6 29 1
32 7 30 1
33 8 31 1
34 9 32 1
35 9 33 1
36 10 34 1
37 10 35 1
38 13 36 1
39 14 37 1
40 16 38 1
41 18 39 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1 TEMP 0 **** **** 0 ROOT
Last updated: March 15, 2001
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