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philipturner/adamantane-thiol-Hab-tool.pdb

Created June 22, 2023 04:12
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adamantane-thiol-Hab-tool.pdb
REMARK 5
REMARK 5 Created 2023/06/04 01:23:03 AM UTC
REMARK 5 with NanoEngineer-1 version 1.1.1.14 nanoengineer-1.com
REMARK 5
REMARK 6
REMARK 6 This file generally complies with the PDB format version 2.3
REMARK 6 Notes:
REMARK 6
REMARK 6 - Sets of atoms are treated as PDB chains terminated with TER
REMARK 6 records. Since the number of atom sets can exceed the 95 possible
REMARK 6 unique chains expressed in ATOM records by single non-control ASCII
REMARK 6 characters, TER record serial numbers will be used to uniquely
REMARK 6 identify atom sets/chains. Chain identifiers in ATOM records will
REMARK 6 "roll-over" after every 95 chains.
REMARK 6
HETATM 1 C A 1 -0.030 0.000 0.020 1.00 0.00 C
HETATM 2 C A 1 -0.240 -0.610 1.430 1.00 0.00 C
HETATM 3 S A 1 -0.290 -2.460 1.340 1.00 0.00 S
HETATM 4 H A 1 -1.190 -0.300 1.870 1.00 0.00 H
HETATM 5 H A 1 0.580 -0.350 2.110 1.00 0.00 H
HETATM 6 C A 1 -1.200 -0.420 -0.910 1.00 0.00 C
HETATM 7 C A 1 1.300 -0.510 -0.580 1.00 0.00 C
HETATM 8 C A 1 -1.010 0.130 -2.340 1.00 0.00 C
HETATM 9 C A 1 1.520 0.040 -2.010 1.00 0.00 C
HETATM 10 C A 1 0.340 -0.370 -2.910 1.00 0.00 C
HETATM 11 C A 1 -2.180 -0.350 -3.250 1.00 0.00 C
HETATM 12 C A 1 2.850 -0.530 -2.590 1.00 0.00 C
HETATM 13 C A 1 0.010 1.550 0.070 1.00 0.00 C
HETATM 14 C A 1 -0.950 1.680 -2.260 1.00 0.00 C
HETATM 15 C A 1 1.560 1.590 -1.930 1.00 0.00 C
HETATM 16 C A 1 0.220 2.130 -1.350 1.00 0.00 C
HETATM 17 S A 1 -2.220 -2.200 -3.320 1.00 0.00 S
HETATM 18 S A 1 2.780 -2.380 -2.660 1.00 0.00 S
HETATM 19 H A 1 -1.280 -1.490 -0.940 1.00 0.00 H
HETATM 20 H A 1 -2.140 -0.050 -0.500 1.00 0.00 H
HETATM 21 H A 1 -2.060 0.000 -4.270 1.00 0.00 H
HETATM 22 H A 1 0.310 -1.450 -3.000 1.00 0.00 H
HETATM 23 H A 1 1.300 -1.590 -0.600 1.00 0.00 H
HETATM 24 H A 1 2.130 -0.200 0.060 1.00 0.00 H
HETATM 25 H A 1 3.700 -0.270 -1.960 1.00 0.00 H
HETATM 26 H A 1 3.020 -0.180 -3.600 1.00 0.00 H
HETATM 27 H A 1 0.480 0.020 -3.910 1.00 0.00 H
HETATM 28 H A 1 -3.140 -0.030 -2.860 1.00 0.00 H
HETATM 29 H A 1 0.820 1.870 0.720 1.00 0.00 H
HETATM 30 H A 1 -0.910 1.940 0.490 1.00 0.00 H
HETATM 31 H A 1 2.390 1.920 -1.310 1.00 0.00 H
HETATM 32 H A 1 1.720 2.010 -2.930 1.00 0.00 H
HETATM 33 H A 1 -1.890 2.070 -1.870 1.00 0.00 H
HETATM 34 H A 1 -0.820 2.100 -3.260 1.00 0.00 H
HETATM 35 C A 1 0.270 3.680 -1.290 1.00 0.00 C
HETATM 36 C A 1 0.320 5.220 -1.220 1.00 0.00 C
HETATM 37 Br A 1 0.370 7.180 -1.130 1.00 0.00 Br
HETATM 38 H A 1 -1.610 -2.600 1.590 1.00 0.00 H
HETATM 39 H A 1 3.650 -2.620 -1.660 1.00 0.00 H
HETATM 40 H A 1 -1.790 -2.320 -4.590 1.00 0.00 H
TER 1 A
CONECT 2 1
CONECT 3 2
CONECT 4 2
CONECT 5 2
CONECT 6 1
CONECT 7 1
CONECT 8 6
CONECT 9 7
CONECT 10 8 9
CONECT 11 8
CONECT 12 9
CONECT 13 1
CONECT 14 8
CONECT 15 9
CONECT 16 14 15 13
CONECT 17 11
CONECT 18 12
CONECT 19 6
CONECT 20 6
CONECT 21 11
CONECT 22 10
CONECT 23 7
CONECT 24 7
CONECT 25 12
CONECT 26 12
CONECT 27 10
CONECT 28 11
CONECT 29 13
CONECT 30 13
CONECT 31 15
CONECT 32 15
CONECT 33 14
CONECT 34 14
CONECT 35 16
CONECT 36 35
CONECT 37 36
CONECT 38 3
CONECT 39 18
CONECT 40 17
END
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