REMARK Name = BDB029343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.019 -0.843 0.503 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -3.475 -1.686 -0.511 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.093 -1.772 -0.771 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.253 -0.987 0.007 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.234 -0.851 -0.029 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.516 0.121 1.018 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.660 0.541 1.649 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.851 1.322 2.563 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.771 -0.166 0.998 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.127 -0.073 1.269 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.838 0.556 1.314 0.00 0.00 +0.037 A ATOM 12 C LIG 1 2.945 0.022 0.621 0.00 0.00 +0.027 A ATOM 13 C LIG 1 4.296 0.399 0.857 0.00 0.00 -0.039 A ATOM 14 C LIG 1 4.471 1.385 1.844 0.00 0.00 +0.004 A ATOM 15 C LIG 1 3.397 1.935 2.547 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.094 1.520 2.287 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.526 -0.296 0.013 0.00 0.00 +0.005 C ATOM 18 C LIG 1 5.447 -1.868 -0.079 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.736 -1.793 -1.597 0.00 0.00 +0.093 C ATOM 20 C LIG 1 5.363 -0.297 -1.553 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 7.102 -2.082 -1.988 0.00 0.00 +0.066 C ATOM 22 N LIG 1 8.210 -2.288 -2.263 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 6.935 0.126 0.518 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 7.412 1.439 -0.009 0.00 0.00 +0.134 A ATOM 25 N LIG 1 8.714 1.726 -0.333 0.00 0.00 -0.320 N ATOM 26 C LIG 1 9.859 0.861 -0.235 0.00 0.00 +0.151 C ATOM 27 C LIG 1 8.722 3.011 -0.780 0.00 0.00 +0.224 A ATOM 28 N LIG 1 7.504 3.495 -0.736 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 6.681 2.508 -0.252 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -1.548 -2.652 -1.862 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.520 -3.434 -1.428 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.464 -3.503 -2.399 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -1.044 -1.930 -2.900 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -5.561 -0.814 0.720 0.00 0.00 +0.042 C ATOM 35 C LIG 1 -5.999 0.254 1.749 0.00 0.00 +0.033 C ATOM 36 C LIG 1 -5.902 -2.191 1.355 0.00 0.00 +0.033 C BRANCH 34 42 ATOM 37 C LIG 1 -6.950 2.929 -1.922 0.00 0.00 +0.039 C ATOM 38 C LIG 1 -7.153 1.700 -1.044 0.00 0.00 +0.129 C ATOM 39 O LIG 1 -8.430 1.136 -1.372 0.00 0.00 -0.374 OA ATOM 40 C LIG 1 -8.680 -0.031 -0.582 0.00 0.00 +0.175 C ATOM 41 C LIG 1 -7.596 -1.095 -0.804 0.00 0.00 +0.113 C ATOM 42 N LIG 1 -6.216 -0.631 -0.599 0.00 0.00 -0.289 NA ATOM 43 C LIG 1 -6.017 0.673 -1.266 0.00 0.00 +0.116 C ENDBRANCH 34 42 ENDBRANCH 1 34 TORSDOF 8