REMARK Name = BDB016720 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.866 -1.370 -1.187 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.653 -0.876 -2.487 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.338 -0.666 -2.921 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -2.222 -0.923 -2.134 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.106 -0.558 -2.951 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.504 -0.152 -4.165 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.430 -1.453 -0.847 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.842 -0.214 -4.112 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.367 0.061 -4.934 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.742 -1.669 -0.399 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -8.392 -2.547 1.322 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -7.644 -1.612 1.556 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -6.826 -0.869 0.524 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.261 -1.622 -0.663 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -7.361 -0.596 -0.852 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -6.114 0.191 1.319 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -6.483 0.034 2.665 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -6.016 0.841 3.682 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -5.137 1.865 3.329 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -4.757 2.053 1.989 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -5.249 1.219 0.977 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -7.377 -1.032 2.783 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -7.806 -1.346 3.639 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 0.287 -0.614 -2.616 0.00 0.00 +0.031 C ATOM 25 C LIG 1 0.825 -0.434 -1.399 0.00 0.00 +0.010 C BRANCH 25 26 ATOM 26 C LIG 1 2.268 -0.485 -1.121 0.00 0.00 -0.020 A ATOM 27 C LIG 1 2.705 -1.031 0.090 0.00 0.00 +0.046 A ATOM 28 C LIG 1 4.065 -1.067 0.398 0.00 0.00 +0.131 A ATOM 29 F LIG 1 4.442 -1.623 1.558 0.00 0.00 -0.205 F ATOM 30 C LIG 1 5.025 -0.556 -0.476 0.00 0.00 +0.037 A ATOM 31 C LIG 1 4.577 -0.002 -1.674 0.00 0.00 +0.131 A ATOM 32 F LIG 1 5.460 0.515 -2.541 0.00 0.00 -0.205 F ATOM 33 C LIG 1 3.220 0.043 -1.999 0.00 0.00 +0.046 A BRANCH 30 34 ATOM 34 C LIG 1 6.488 -0.589 -0.129 0.00 0.00 +0.125 C BRANCH 34 35 ATOM 35 N LIG 1 6.880 0.454 0.834 0.00 0.00 -0.294 NA ATOM 36 C LIG 1 8.225 0.163 1.379 0.00 0.00 +0.113 C ATOM 37 C LIG 1 8.691 1.263 2.344 0.00 0.00 +0.175 C ATOM 38 O LIG 1 8.715 2.541 1.696 0.00 0.00 -0.377 OA ATOM 39 C LIG 1 7.408 2.862 1.204 0.00 0.00 +0.175 C ATOM 40 C LIG 1 6.905 1.798 0.215 0.00 0.00 +0.113 C ENDBRANCH 34 35 ENDBRANCH 30 34 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5