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- HEADER NONAME 22-Apr-10 NONE 1
- TITLE NONE 2
- AUTHOR Chemical Structure Services at http://cactus.nci.nih.gov NONE 3
- REVDAT 1 22-Apr-10 0 NONE 4
- ATOM 1 C 0 2.154 1.017 -0.012 0.00 0.00 C+0
- ATOM 2 C 0 -0.545 1.675 0.087 0.00 0.00 C+0
- ATOM 3 C 0 1.761 2.338 0.015 0.00 0.00 C+0
- ATOM 4 C 0 0.416 2.666 0.064 0.00 0.00 C+0
- ATOM 5 C 0 -3.466 -1.377 0.133 0.00 0.00 C+0
- ATOM 6 C 0 1.192 0.004 0.010 0.00 0.00 C+0
- ATOM 7 C 0 -0.168 0.341 0.060 0.00 0.00 C+0
- ATOM 8 O 0 0.765 -2.290 -0.001 0.00 0.00 O+0
- ATOM 9 O 0 -2.733 0.825 -0.277 0.00 0.00 O+0
- ATOM 10 O 0 2.912 -1.731 -0.067 0.00 0.00 O+0
- ATOM 11 C 0 1.604 -1.411 -0.019 0.00 0.00 C+0
- ATOM 12 C 0 -2.411 -0.315 -0.036 0.00 0.00 C+0
- ATOM 13 O 0 -1.112 -0.634 0.081 0.00 0.00 O+0
- ATOM 14 H 0 3.183 -2.659 -0.086 0.00 0.00 H+0
- ATOM 15 H 0 3.203 0.765 -0.054 0.00 0.00 H+0
- ATOM 16 H 0 -1.591 1.939 0.125 0.00 0.00 H+0
- ATOM 17 H 0 2.506 3.120 -0.002 0.00 0.00 H+0
- ATOM 18 H 0 0.118 3.704 0.085 0.00 0.00 H+0
- ATOM 19 H 0 -3.762 -1.431 1.181 0.00 0.00 H+0
- ATOM 20 H 0 -4.334 -1.127 -0.477 0.00 0.00 H+0
- ATOM 21 H 0 -3.066 -2.340 -0.182 0.00 0.00 H+0
- CONECT 1 6 3 15 0 NONE 26
- CONECT 2 7 4 16 0 NONE 27
- CONECT 3 1 4 17 0 NONE 28
- CONECT 4 2 3 18 0 NONE 29
- CONECT 5 12 19 20 21 NONE 30
- CONECT 6 7 1 11 0 NONE 31
- CONECT 7 6 2 13 0 NONE 32
- CONECT 8 11 0 0 0 NONE 33
- CONECT 9 12 0 0 0 NONE 34
- CONECT 10 11 14 0 0 NONE 35
- CONECT 11 6 10 8 0 NONE 36
- CONECT 12 13 5 9 0 NONE 37
- CONECT 13 7 12 0 0 NONE 38
- END NONE 39
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