REMARK Name = BDB053893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.279 -0.810 -1.451 0.00 0.00 -0.294 N ATOM 2 C LIG 1 0.459 0.412 -2.126 0.00 0.00 +0.224 C ATOM 3 O LIG 1 -0.481 1.070 -2.575 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 4 ATOM 4 C LIG 1 1.899 0.907 -2.149 0.00 0.00 +0.125 C ATOM 5 C LIG 1 2.327 1.549 -0.804 0.00 0.00 +0.109 C ATOM 6 C LIG 1 3.089 0.612 0.096 0.00 0.00 -0.007 A ATOM 7 C LIG 1 2.535 0.643 1.373 0.00 0.00 -0.013 A ATOM 8 C LIG 1 3.051 -0.119 2.410 0.00 0.00 +0.047 A ATOM 9 C LIG 1 4.146 -0.933 2.135 0.00 0.00 +0.159 A ATOM 10 C LIG 1 4.711 -0.966 0.857 0.00 0.00 +0.159 A ATOM 11 F LIG 1 5.767 -1.754 0.612 0.00 0.00 -0.202 F ATOM 12 F LIG 1 4.657 -1.692 3.114 0.00 0.00 -0.202 F ATOM 13 C LIG 1 1.396 1.592 1.399 0.00 0.00 +0.196 C ATOM 14 C LIG 1 4.191 -0.189 -0.175 0.00 0.00 +0.048 A ATOM 15 O LIG 1 1.158 1.891 0.007 0.00 0.00 -0.363 OA ATOM 16 C LIG 1 3.094 2.871 -1.011 0.00 0.00 +0.056 C ATOM 17 C LIG 1 4.063 2.812 -2.186 0.00 0.00 +0.084 C ATOM 18 N LIG 1 3.479 2.306 -3.428 0.00 0.00 -0.315 NA ATOM 19 H LIG 1 3.562 3.007 -4.166 0.00 0.00 +0.122 HD ATOM 20 C LIG 1 2.076 1.899 -3.302 0.00 0.00 +0.096 C ENDBRANCH 2 4 BRANCH 1 21 ATOM 21 C LIG 1 0.466 -2.046 -2.222 0.00 0.00 +0.077 C ATOM 22 C LIG 1 1.223 -2.158 -3.518 0.00 0.00 +0.024 C ATOM 23 C LIG 1 1.803 -2.737 -2.262 0.00 0.00 +0.024 C ENDBRANCH 1 21 BRANCH 1 24 ATOM 24 C LIG 1 -0.942 -0.811 -0.617 0.00 0.00 +0.143 C BRANCH 24 33 ATOM 25 C LIG 1 -3.408 -1.225 1.360 0.00 0.00 -0.039 A ATOM 26 C LIG 1 -2.095 -1.833 1.484 0.00 0.00 -0.010 A ATOM 27 C LIG 1 -1.944 -2.739 2.584 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -0.715 -3.342 2.879 0.00 0.00 +0.008 A ATOM 29 C LIG 1 0.413 -3.086 2.122 0.00 0.00 +0.001 A ATOM 30 C LIG 1 0.312 -2.248 1.026 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -3.015 -3.063 3.429 0.00 0.00 +0.008 A ATOM 32 C LIG 1 -4.269 -2.505 3.253 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -0.912 -1.645 0.657 0.00 0.00 -0.022 A ATOM 34 C LIG 1 -4.458 -1.586 2.239 0.00 0.00 +0.004 A BRANCH 25 35 ATOM 35 C LIG 1 -3.783 -0.113 0.392 0.00 0.00 +0.038 C BRANCH 35 36 ATOM 36 C LIG 1 -3.383 1.266 0.931 0.00 0.00 +0.033 C BRANCH 36 37 ATOM 37 C LIG 1 -3.632 2.369 -0.097 0.00 0.00 +0.160 C BRANCH 37 39 ATOM 38 C LIG 1 -5.843 3.080 0.425 0.00 0.00 +0.193 C ATOM 39 O LIG 1 -4.996 2.428 -0.512 0.00 0.00 -0.383 OA ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 25 35 ENDBRANCH 24 33 ENDBRANCH 1 24 TORSDOF 8