81 lines
2.1 KiB
Plaintext
Executable File
81 lines
2.1 KiB
Plaintext
Executable File
# created with PyMOL 3.0.0
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@<TRIPOS>MOLECULE
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UNK
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35 35 1
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SMALL
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USER_CHARGES
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@<TRIPOS>ATOM
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1 O -10.669 0.397 -9.796 O.2 1 UNK 0.000
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2 O -5.807 -5.276 -8.787 O.2 1 UNK 0.000
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3 O -6.714 -4.423 -6.979 O.2 1 UNK 0.000
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4 N -12.391 0.704 -12.159 N.3 1 UNK 0.000
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5 N -9.471 -0.846 -11.385 N.pl3 1 UNK 0.000
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6 N -6.575 -4.458 -8.226 N.pl3 1 UNK 0.000
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7 C -9.074 2.716 -12.046 C.3 1 UNK 0.000
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8 C -10.583 2.398 -12.007 C.3 1 UNK 0.000
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9 C -10.943 0.909 -12.141 C.3 1 UNK 0.000
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10 C -8.406 2.209 -13.324 C.3 1 UNK 0.000
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11 C -8.385 2.100 -10.825 C.3 1 UNK 0.000
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12 C -10.364 0.133 -10.956 C.2 1 UNK 0.000
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13 C -8.739 -1.758 -10.588 C.2 1 UNK 0.000
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14 C -7.890 -2.664 -11.201 C.2 1 UNK 0.000
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15 C -8.889 -1.725 -9.211 C.2 1 UNK 0.000
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16 C -7.170 -3.563 -10.414 C.2 1 UNK 0.000
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17 C -8.168 -2.624 -8.425 C.2 1 UNK 0.000
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18 C -7.309 -3.543 -9.026 C.2 1 UNK 0.000
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19 H -8.963 3.807 -11.998 H 1 UNK 0.000
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20 H -11.006 2.805 -11.078 H 1 UNK 0.000
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21 H -11.065 2.951 -12.825 H 1 UNK 0.000
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22 H -10.556 0.526 -13.090 H 1 UNK 0.000
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23 H -7.369 2.559 -13.373 H 1 UNK 0.000
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24 H -8.383 1.117 -13.384 H 1 UNK 0.000
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25 H -8.926 2.589 -14.210 H 1 UNK 0.000
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26 H -8.036 1.080 -10.971 H 1 UNK 0.000
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27 H -7.463 2.669 -10.641 H 1 UNK 0.000
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28 H -8.970 2.203 -9.907 H 1 UNK 0.000
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29 H -12.594 -0.278 -12.341 H 1 UNK 0.000
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30 H -12.801 1.228 -12.931 H 1 UNK 0.000
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31 H -9.311 -0.937 -12.386 H 1 UNK 0.000
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32 H -7.775 -2.687 -12.281 H 1 UNK 0.000
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33 H -9.533 -1.047 -8.672 H 1 UNK 0.000
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34 H -6.509 -4.265 -10.917 H 1 UNK 0.000
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35 H -8.301 -2.580 -7.347 H 1 UNK 0.000
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@<TRIPOS>BOND
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1 1 12 2
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2 2 6 1
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3 3 6 2
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4 4 9 1
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5 4 29 1
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6 4 30 1
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7 5 12 1
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8 5 13 1
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9 5 31 1
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10 6 18 1
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11 7 8 1
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12 7 10 1
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13 7 11 1
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14 7 19 1
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15 8 9 1
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16 8 20 1
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17 8 21 1
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18 9 12 1
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19 9 22 1
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20 10 23 1
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21 10 24 1
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22 10 25 1
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23 11 26 1
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24 11 27 1
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25 11 28 1
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26 13 14 2
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27 13 15 1
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28 14 16 1
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29 14 32 1
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30 15 17 2
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31 15 33 1
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32 16 18 2
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33 16 34 1
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34 17 18 1
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35 17 35 1
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@<TRIPOS>SUBSTRUCTURE
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1 UNK0 1 GROUP 1 **** UNK
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