REMARK Name = BDB035813 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.011 -0.301 0.805 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.176 -0.601 1.481 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.409 -0.761 2.665 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.230 -0.713 0.465 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.574 -0.990 0.645 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.390 -1.044 -0.492 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.823 -0.809 -1.769 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.453 -0.527 -1.934 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.669 -0.486 -0.785 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.793 -0.213 -0.635 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.693 0.385 1.134 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.407 0.191 0.587 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.292 -0.100 1.390 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.494 -0.183 2.772 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.760 0.016 3.333 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.854 0.298 2.521 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.893 0.693 0.244 0.00 0.00 +0.094 C BRANCH 17 20 ATOM 18 C LIG 1 -6.853 -2.271 0.422 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -6.440 -1.585 -0.772 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -6.011 -0.286 -0.891 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -5.707 -0.065 -2.157 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -5.941 -1.217 -2.865 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.379 -2.121 -2.021 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.772 2.129 -0.278 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -7.045 2.686 -0.941 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -7.370 3.443 0.253 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -6.022 3.246 0.750 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 0.856 -0.276 -3.292 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.263 0.946 -3.375 0.00 0.00 -0.166 F ATOM 30 F LIG 1 1.755 -0.330 -4.311 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.114 -1.181 -3.598 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.870 -1.328 -0.362 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.643 -0.127 -0.665 0.00 0.00 -0.309 NA ATOM 34 H LIG 1 5.390 0.606 -0.003 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.085 -0.364 -0.608 0.00 0.00 +0.054 C ATOM 36 C LIG 1 7.882 0.884 -1.052 0.00 0.00 +0.022 C ATOM 37 C LIG 1 9.239 0.692 -0.431 0.00 0.00 -0.006 C ATOM 38 C LIG 1 9.096 -0.272 0.709 0.00 0.00 -0.006 C ATOM 39 C LIG 1 9.533 1.143 0.973 0.00 0.00 +0.007 C ATOM 40 C LIG 1 7.651 -0.680 0.797 0.00 0.00 +0.022 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8