REMARK Name = BDB026514 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.603 2.191 -0.608 0.00 0.00 -0.288 N ATOM 2 C LIG 1 2.205 2.169 0.735 0.00 0.00 +0.070 A ATOM 3 C LIG 1 0.812 2.041 0.768 0.00 0.00 +0.073 A ATOM 4 C LIG 1 0.115 1.982 1.955 0.00 0.00 +0.066 A ATOM 5 C LIG 1 0.867 2.053 3.126 0.00 0.00 +0.125 A ATOM 6 C LIG 1 2.267 2.179 3.106 0.00 0.00 +0.040 A ATOM 7 F LIG 1 0.238 1.998 4.307 0.00 0.00 -0.205 F ATOM 8 N LIG 1 0.354 1.986 -0.556 0.00 0.00 -0.289 N ATOM 9 C LIG 1 2.957 2.239 1.891 0.00 0.00 +0.031 A ATOM 10 C LIG 1 1.462 2.060 -1.430 0.00 0.00 +0.331 A ATOM 11 O LIG 1 1.445 2.034 -2.650 0.00 0.00 -0.246 OA ENDROOT BRANCH 1 12 ATOM 12 C LIG 1 3.956 2.239 -1.096 0.00 0.00 +0.162 C BRANCH 12 16 ATOM 13 C LIG 1 6.140 -1.464 -0.553 0.00 0.00 +0.120 A ATOM 14 C LIG 1 6.654 -0.264 -0.062 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.946 0.931 -0.237 0.00 0.00 +0.009 A ATOM 16 C LIG 1 4.711 0.944 -0.899 0.00 0.00 -0.027 A ATOM 17 C LIG 1 4.207 -0.263 -1.401 0.00 0.00 +0.009 A ATOM 18 C LIG 1 4.915 -1.454 -1.224 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 7.984 -2.754 0.210 0.00 0.00 +0.277 C ATOM 20 O LIG 1 6.726 -2.695 -0.449 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 12 16 ENDBRANCH 1 12 BRANCH 8 21 ATOM 21 C LIG 1 -1.004 1.718 -0.973 0.00 0.00 +0.159 C BRANCH 21 22 ATOM 22 C LIG 1 -1.396 0.237 -0.822 0.00 0.00 +0.148 C BRANCH 22 23 ATOM 23 O LIG 1 -0.655 -0.576 -1.739 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -1.206 -1.373 -1.881 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -2.905 0.047 -1.097 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -3.296 -1.382 -1.137 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -4.688 -1.532 -1.612 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -5.749 -1.185 -0.588 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -5.467 -1.233 0.790 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -6.476 -0.942 1.718 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -7.762 -0.626 1.283 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.050 -0.595 -0.079 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -4.069 -1.537 1.270 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -7.050 -0.876 -1.011 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -3.165 -2.082 0.155 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 8 21 TORSDOF 8