REMARK Name = BDB026299 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.998 -0.949 0.278 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.613 0.357 -0.116 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.267 0.669 -0.328 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.726 -0.306 -0.145 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.333 -1.592 0.246 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.250 -2.551 0.442 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.006 -1.916 0.460 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.003 -3.732 -0.683 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.430 -2.542 0.095 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.809 -2.543 1.541 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.438 -3.779 2.233 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.228 -1.320 2.175 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.574 -1.183 3.661 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.693 -1.163 1.959 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.378 -1.198 0.507 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.898 -2.418 -0.154 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.153 0.026 -0.377 0.00 0.00 -0.040 C ATOM 18 C LIG 1 2.910 -0.888 -1.323 0.00 0.00 +0.054 C ATOM 19 C LIG 1 3.722 -0.164 -2.403 0.00 0.00 +0.116 C ATOM 20 N LIG 1 4.900 0.505 -1.869 0.00 0.00 -0.267 N ATOM 21 C LIG 1 6.057 -0.244 -1.692 0.00 0.00 +0.403 C ATOM 22 O LIG 1 6.188 -1.386 -2.115 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 4.674 1.761 -1.164 0.00 0.00 +0.115 C ATOM 24 C LIG 1 4.114 1.550 0.244 0.00 0.00 +0.046 C ATOM 25 C LIG 1 2.690 1.062 0.300 0.00 0.00 -0.021 C BRANCH 21 26 ATOM 26 O LIG 1 7.005 0.439 -0.995 0.00 0.00 -0.444 OA BRANCH 26 27 ATOM 27 C LIG 1 8.276 -0.185 -0.691 0.00 0.00 +0.112 C ATOM 28 C LIG 1 9.092 -0.812 -1.854 0.00 0.00 +0.048 C ATOM 29 C LIG 1 9.419 -2.006 -0.937 0.00 0.00 +0.008 C ATOM 30 C LIG 1 8.273 -1.577 -0.002 0.00 0.00 +0.048 C ATOM 31 C LIG 1 9.095 0.844 0.097 0.00 0.00 +0.056 C ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.672 1.272 -0.286 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.577 0.843 -0.106 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -2.605 2.611 -0.572 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -1.603 3.302 -0.705 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -3.952 3.251 -0.665 0.00 0.00 +0.062 A ATOM 37 C LIG 1 -4.325 4.378 0.186 0.00 0.00 +0.036 A ATOM 38 C LIG 1 -5.537 4.946 0.039 0.00 0.00 +0.080 A ATOM 39 C LIG 1 -6.489 4.440 -0.981 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -7.594 4.945 -1.129 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -6.048 3.380 -1.735 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -6.696 3.044 -2.439 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -4.811 2.800 -1.594 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -3.339 4.840 1.220 0.00 0.00 +0.372 C ATOM 45 F LIG 1 -3.850 5.856 1.972 0.00 0.00 -0.204 F ATOM 46 F LIG 1 -3.068 3.837 2.100 0.00 0.00 -0.204 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7