REMARK Name = BDB026011 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.793 0.989 0.123 0.00 0.00 +0.021 A ATOM 2 C LIG 1 0.325 2.291 0.358 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.192 3.301 0.530 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.036 2.590 0.436 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.986 1.579 0.279 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.537 0.258 0.045 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.169 -0.026 -0.035 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.388 1.806 0.361 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.866 2.832 -0.597 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.421 2.951 -0.524 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.867 4.014 -1.537 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.884 3.266 0.858 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -7.344 3.293 0.971 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -5.336 2.269 1.811 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.797 2.148 1.745 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 16 C LIG 1 4.958 0.014 -0.052 0.00 0.00 +0.121 A ATOM 17 N LIG 1 4.114 -0.739 0.681 0.00 0.00 -0.240 NA ATOM 18 C LIG 1 2.798 -0.401 0.711 0.00 0.00 +0.121 A ATOM 19 C LIG 1 2.232 0.684 0.046 0.00 0.00 +0.003 A ATOM 20 C LIG 1 3.125 1.462 -0.691 0.00 0.00 +0.013 A ATOM 21 C LIG 1 4.483 1.132 -0.737 0.00 0.00 +0.044 A BRANCH 16 28 ATOM 22 C LIG 1 8.658 -1.419 -2.902 0.00 0.00 +0.039 C ATOM 23 C LIG 1 7.873 -1.522 -1.600 0.00 0.00 +0.133 C ATOM 24 O LIG 1 8.821 -1.718 -0.541 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 8.252 -1.596 0.777 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.975 -0.454 1.487 0.00 0.00 +0.039 C ATOM 27 C LIG 1 6.716 -1.417 0.806 0.00 0.00 +0.137 C ATOM 28 N LIG 1 6.311 -0.315 -0.079 0.00 0.00 -0.310 N ATOM 29 C LIG 1 7.004 -0.264 -1.379 0.00 0.00 +0.137 C ENDBRANCH 16 28 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.555 -0.706 -0.103 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.480 -0.291 -0.011 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.427 -2.062 -0.277 0.00 0.00 +0.249 C ATOM 33 O LIG 1 -1.397 -2.717 -0.321 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.718 -2.782 -0.410 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -3.980 -3.937 0.350 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -5.203 -4.605 0.150 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -6.127 -4.124 -0.772 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -7.286 -4.772 -0.942 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -5.867 -2.982 -1.518 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -4.659 -2.310 -1.343 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -2.998 -4.463 1.368 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.593 -5.325 2.249 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.975 -5.168 0.821 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.455 -3.492 2.151 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6