REMARK Name = BDB022396 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.447 2.629 1.771 0.00 0.00 -0.000 A ATOM 2 C LIG 1 -2.954 3.718 1.057 0.00 0.00 +0.127 A ATOM 3 F LIG 1 -4.071 4.329 1.479 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.340 4.176 -0.103 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -1.195 3.537 -0.576 0.00 0.00 +0.011 A ATOM 6 C LIG 1 -0.658 2.427 0.099 0.00 0.00 -0.017 A ATOM 7 C LIG 1 -1.304 1.982 1.268 0.00 0.00 +0.015 A ENDROOT BRANCH 6 8 ATOM 8 C LIG 1 0.546 1.747 -0.406 0.00 0.00 -0.018 A ATOM 9 C LIG 1 1.668 1.558 0.413 0.00 0.00 +0.010 A ATOM 10 C LIG 1 2.817 0.921 -0.072 0.00 0.00 +0.024 A ATOM 11 C LIG 1 2.873 0.453 -1.389 0.00 0.00 +0.034 A ATOM 12 C LIG 1 1.761 0.633 -2.210 0.00 0.00 +0.024 A ATOM 13 C LIG 1 0.612 1.272 -1.724 0.00 0.00 +0.010 A BRANCH 11 14 ATOM 14 N LIG 1 4.069 -0.167 -1.805 0.00 0.00 -0.282 N ATOM 15 H LIG 1 4.798 -0.231 -1.107 0.00 0.00 +0.155 HD ATOM 16 C LIG 1 4.333 -0.735 -3.030 0.00 0.00 +0.241 C ATOM 17 O LIG 1 3.565 -0.885 -3.971 0.00 0.00 -0.271 OA BRANCH 16 18 ATOM 18 C LIG 1 5.715 -1.276 -3.152 0.00 0.00 +0.064 C ATOM 19 C LIG 1 6.806 -0.661 -2.666 0.00 0.00 -0.007 C BRANCH 19 20 ATOM 20 C LIG 1 8.203 -1.186 -2.851 0.00 0.00 +0.111 C BRANCH 20 21 ATOM 21 N LIG 1 8.922 -1.513 -1.618 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 9.195 -0.356 -0.774 0.00 0.00 +0.104 C ATOM 23 C LIG 1 8.302 -2.598 -0.865 0.00 0.00 +0.104 C ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 6 8 BRANCH 1 25 ATOM 24 C LIG 1 -2.209 1.897 4.189 0.00 0.00 +0.022 C ATOM 25 C LIG 1 -3.167 2.147 3.019 0.00 0.00 +0.105 C BRANCH 25 26 ATOM 26 C LIG 1 -4.012 0.902 2.714 0.00 0.00 +0.226 C ATOM 27 N LIG 1 -5.131 1.199 1.965 0.00 0.00 -0.268 N ATOM 28 H LIG 1 -5.337 2.152 1.694 0.00 0.00 +0.156 HD ATOM 29 O LIG 1 -3.692 -0.214 3.114 0.00 0.00 -0.275 OA BRANCH 27 30 ATOM 30 C LIG 1 -6.066 0.296 1.528 0.00 0.00 +0.147 A ATOM 31 N LIG 1 -7.122 0.753 0.845 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 -7.837 -0.352 0.573 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -8.708 -0.256 0.061 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 -7.265 -1.492 1.046 0.00 0.00 +0.041 A ATOM 35 C LIG 1 -6.110 -1.108 1.681 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 -7.824 -2.924 0.917 0.00 0.00 +0.037 C ATOM 37 C LIG 1 -8.210 -3.437 -0.444 0.00 0.00 +0.010 C ATOM 38 C LIG 1 -6.986 -3.974 0.237 0.00 0.00 +0.010 C ENDBRANCH 34 36 ENDBRANCH 27 30 ENDBRANCH 25 26 ENDBRANCH 1 25 TORSDOF 9