REMARK Name = BDB034410 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.049 -0.799 1.034 0.00 0.00 +0.034 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.429 0.223 -0.043 0.00 0.00 +0.083 C BRANCH 2 3 ATOM 3 N LIG 1 -1.852 0.564 -0.046 0.00 0.00 -0.312 NA ATOM 4 H LIG 1 -2.179 0.709 0.910 0.00 0.00 +0.122 HD BRANCH 3 5 ATOM 5 C LIG 1 -2.686 -0.470 -0.669 0.00 0.00 +0.120 C BRANCH 5 7 ATOM 6 C LIG 1 -5.151 -0.809 -0.067 0.00 0.00 +0.124 A ATOM 7 C LIG 1 -4.143 -0.050 -0.691 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -4.495 1.130 -1.377 0.00 0.00 +0.020 A ATOM 9 C LIG 1 -5.825 1.566 -1.448 0.00 0.00 +0.055 A ATOM 10 C LIG 1 -6.812 0.805 -0.812 0.00 0.00 +0.016 A ATOM 11 C LIG 1 -6.479 -0.371 -0.132 0.00 0.00 +0.046 A BRANCH 9 12 ATOM 12 C LIG 1 -6.169 2.847 -2.167 0.00 0.00 +0.417 C ATOM 13 F LIG 1 -7.489 2.942 -2.495 0.00 0.00 -0.166 F ATOM 14 F LIG 1 -5.891 3.953 -1.423 0.00 0.00 -0.166 F ATOM 15 F LIG 1 -5.487 2.999 -3.337 0.00 0.00 -0.166 F ENDBRANCH 9 12 BRANCH 6 17 ATOM 16 C LIG 1 -5.740 -2.748 1.198 0.00 0.00 +0.277 C ATOM 17 O LIG 1 -4.742 -1.947 0.576 0.00 0.00 -0.495 OA ENDBRANCH 6 17 ENDBRANCH 5 7 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 1.449 -1.118 1.029 0.00 0.00 +0.103 C BRANCH 18 19 ATOM 19 N LIG 1 2.215 -0.008 1.609 0.00 0.00 -0.343 N ATOM 20 H LIG 1 2.079 0.857 1.092 0.00 0.00 +0.146 HD BRANCH 19 21 ATOM 21 C LIG 1 3.601 -0.307 1.700 0.00 0.00 +0.038 A ATOM 22 C LIG 1 4.543 0.089 0.712 0.00 0.00 +0.021 A ATOM 23 C LIG 1 5.884 -0.315 0.903 0.00 0.00 +0.073 A ATOM 24 C LIG 1 6.842 0.056 -0.030 0.00 0.00 +0.040 A ATOM 25 C LIG 1 6.529 0.810 -1.172 0.00 0.00 +0.057 A ATOM 26 C LIG 1 5.206 1.210 -1.365 0.00 0.00 +0.013 A ATOM 27 N LIG 1 6.287 -1.053 1.948 0.00 0.00 -0.255 NA ATOM 28 C LIG 1 5.362 -1.431 2.852 0.00 0.00 +0.113 A ATOM 29 C LIG 1 4.225 0.851 -0.439 0.00 0.00 +0.012 A ATOM 30 C LIG 1 4.027 -1.097 2.768 0.00 0.00 +0.043 A BRANCH 25 31 ATOM 31 C LIG 1 7.610 1.203 -2.145 0.00 0.00 +0.417 C ATOM 32 F LIG 1 8.237 2.356 -1.783 0.00 0.00 -0.166 F ATOM 33 F LIG 1 8.589 0.264 -2.267 0.00 0.00 -0.166 F ATOM 34 F LIG 1 7.140 1.413 -3.407 0.00 0.00 -0.166 F ENDBRANCH 25 31 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 10