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53 lines
1.5 KiB
Plaintext
53 lines
1.5 KiB
Plaintext
# Name: NoName
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# Creating user name: stiefni2
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# Creation time: 12. 06. 2008 13:55
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# Modifying user name: stiefni2
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# Modification time: 12. 06. 2008 13:55
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# Program: corina 3.40 0006 02.08.2006
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@<TRIPOS>MOLECULE
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NoName
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16 15 0 0 0
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SMALL
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NO_CHARGES
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@<TRIPOS>ATOM
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1 C1 -0.0187 1.5258 0.0104 C.3
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2 C2 0.0021 -0.0041 0.0020 C.3
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3 C3 0.7182 -0.4975 -1.2568 C.3
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4 H4 1.7408 -0.1202 -1.2645 H
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5 C5 0.7389 -2.0273 -1.2652 C.3
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6 C6 1.4551 -2.5208 -2.5240 C.3
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7 H7 1.0039 1.9031 0.0027 H
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8 H8 -0.5459 1.8868 -0.8726 H
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9 H9 -0.5289 1.8773 0.9072 H
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10 H10 0.5293 -0.3651 0.8851 H
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11 H11 -1.0205 -0.3814 0.0098 H
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12 H12 1.2661 -2.3884 -0.3821 H
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13 H13 -0.2837 -2.4046 -1.2574 H
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14 H14 0.9279 -2.1597 -3.4070 H
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15 H15 2.4777 -2.1435 -2.5317 H
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16 H16 1.4698 -3.6107 -2.5299 H
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@<TRIPOS>BOND
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1 1 2 1
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2 1 7 1
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3 1 8 1
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4 1 9 1
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5 2 3 1
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6 2 10 1
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7 2 11 1
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8 3 4 1
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9 3 5 1
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10 5 6 1
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11 5 12 1
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12 5 13 1
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13 6 14 1
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14 6 15 1
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15 6 16 1
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# End of record
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