REMARK Name = BDB036153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.071 -2.197 0.475 0.00 0.00 +0.186 A ATOM 2 C LIG 1 -2.903 -2.426 -0.247 0.00 0.00 +0.167 A ATOM 3 N LIG 1 -2.888 -3.236 -1.331 0.00 0.00 -0.217 NA ATOM 4 C LIG 1 -4.048 -3.813 -1.678 0.00 0.00 +0.223 A ATOM 5 N LIG 1 -5.215 -3.693 -1.034 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -5.189 -2.882 0.041 0.00 0.00 +0.162 A ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.676 -1.844 0.175 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -0.679 -2.688 0.806 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.399 -1.763 0.210 0.00 0.00 +0.004 C ATOM 10 C LIG 1 0.860 -0.635 1.135 0.00 0.00 +0.025 C ATOM 11 C LIG 1 1.820 0.289 0.385 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.980 -0.455 -0.142 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 2.537 -1.513 -1.067 0.00 0.00 +0.085 C ATOM 14 C LIG 1 1.605 -2.503 -0.365 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -0.704 -1.399 -0.807 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 3.922 0.483 -0.784 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 5.306 -0.131 -1.100 0.00 0.00 +0.006 C ATOM 18 C LIG 1 6.277 0.892 -1.750 0.00 0.00 -0.006 C ATOM 19 C LIG 1 6.744 1.947 -0.725 0.00 0.00 +0.015 C ATOM 20 C LIG 1 7.466 1.258 0.473 0.00 0.00 +0.018 C ATOM 21 C LIG 1 7.445 -0.278 0.257 0.00 0.00 -0.001 C ATOM 22 C LIG 1 8.166 -0.628 -1.059 0.00 0.00 +0.004 C ATOM 23 C LIG 1 8.877 1.818 0.655 0.00 0.00 +0.131 C ATOM 24 C LIG 1 8.637 3.043 1.487 0.00 0.00 +0.308 C ATOM 25 O LIG 1 9.414 3.972 1.622 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 7.424 2.954 2.106 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 6.845 1.684 1.802 0.00 0.00 +0.239 C ATOM 28 C LIG 1 7.524 0.124 -2.232 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.983 -0.757 0.142 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -4.213 -1.431 1.603 0.00 0.00 -0.450 OA BRANCH 30 32 ATOM 31 C LIG 1 -3.896 0.826 0.666 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -3.652 -0.175 1.618 0.00 0.00 +0.141 A ATOM 33 C LIG 1 -2.840 0.113 2.722 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -2.230 1.363 2.837 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -2.434 2.322 1.849 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -1.834 3.514 1.957 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -3.261 2.069 0.763 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -6.205 0.581 -0.243 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -4.812 0.631 -0.469 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -4.288 0.521 -1.575 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -7.495 0.019 1.857 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -6.811 1.099 1.017 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -7.714 2.316 0.819 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -7.015 0.255 -1.445 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -7.266 1.477 -2.335 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -8.312 -0.509 -1.188 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8