REMARK Name = BDB041562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.870 1.184 0.957 0.00 0.00 -0.032 A ATOM 2 C LIG 1 -3.308 2.226 0.178 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -1.961 2.205 -0.233 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.192 1.114 0.162 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.245 0.810 -0.112 0.00 0.00 +0.151 C ATOM 6 N LIG 1 0.458 -0.452 0.572 0.00 0.00 -0.248 N ATOM 7 C LIG 1 -0.703 -0.905 1.202 0.00 0.00 +0.253 C ATOM 8 O LIG 1 -0.930 -1.899 1.865 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -1.743 0.097 0.932 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -3.064 0.102 1.342 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.691 -1.135 0.580 0.00 0.00 +0.130 A ATOM 12 N LIG 1 1.774 -2.304 1.236 0.00 0.00 -0.221 NA ATOM 13 C LIG 1 2.950 -2.963 1.238 0.00 0.00 +0.142 A ATOM 14 C LIG 1 4.091 -2.492 0.601 0.00 0.00 +0.043 A ATOM 15 C LIG 1 4.050 -1.276 -0.097 0.00 0.00 -0.030 A ATOM 16 C LIG 1 2.807 -0.605 -0.078 0.00 0.00 +0.048 A BRANCH 15 17 ATOM 17 C LIG 1 5.365 -0.655 -0.851 0.00 0.00 +0.049 C ATOM 18 C LIG 1 6.245 -1.674 -1.648 0.00 0.00 +0.174 C ATOM 19 O LIG 1 5.541 -1.349 -2.877 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 5.103 -0.093 -2.289 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.083 0.257 0.162 0.00 0.00 +0.092 C BRANCH 21 22 ATOM 22 C LIG 1 7.417 0.791 -0.233 0.00 0.00 +0.134 A ATOM 23 N LIG 1 8.543 0.777 0.554 0.00 0.00 -0.320 N ATOM 24 C LIG 1 8.681 0.268 1.894 0.00 0.00 +0.151 C ATOM 25 C LIG 1 9.529 1.358 -0.181 0.00 0.00 +0.224 A ATOM 26 N LIG 1 9.046 1.728 -1.343 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 7.717 1.387 -1.369 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 15 17 BRANCH 13 28 ATOM 28 C LIG 1 2.982 -4.203 1.965 0.00 0.00 +0.119 C ATOM 29 N LIG 1 3.088 -5.206 2.542 0.00 0.00 -0.189 NA ENDBRANCH 13 28 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 -1.370 3.310 -1.066 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.939 2.862 -2.278 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.230 4.332 -1.321 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -0.279 3.870 -0.473 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 -5.327 1.242 1.377 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 -8.667 -1.350 0.437 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -7.379 -1.438 -0.389 0.00 0.00 +0.000 C ATOM 37 C LIG 1 -6.181 -0.823 0.359 0.00 0.00 +0.088 C ATOM 38 N LIG 1 -6.304 0.635 0.465 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 -6.366 1.271 -0.852 0.00 0.00 +0.085 C ATOM 40 C LIG 1 -7.558 0.751 -1.659 0.00 0.00 +0.016 C ATOM 41 C LIG 1 -7.545 -0.774 -1.762 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8