REMARK Name = BDB037392 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.765 2.763 -1.030 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.309 1.894 -0.789 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.602 0.777 -1.548 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.957 0.483 -1.236 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -2.417 1.300 -0.268 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.350 0.287 -2.591 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.772 0.846 -2.325 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.324 1.991 0.153 0.00 0.00 -0.218 N ATOM 9 C LIG 1 1.722 2.350 -1.984 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.567 3.124 -2.442 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.284 -1.230 -2.669 0.00 0.00 -0.037 A ATOM 12 C LIG 1 0.280 -2.064 -1.533 0.00 0.00 +0.007 A ATOM 13 C LIG 1 0.250 -3.454 -1.665 0.00 0.00 +0.038 A ATOM 14 C LIG 1 0.241 -4.023 -2.930 0.00 0.00 +0.123 A ATOM 15 F LIG 1 0.218 -5.356 -3.056 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.261 -3.228 -4.068 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.285 -1.838 -3.939 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -1.309 2.536 1.467 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -2.524 2.808 2.114 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -2.527 3.302 3.419 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -1.323 3.512 4.090 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -0.114 3.222 3.461 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.102 2.728 2.154 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.508 0.196 -1.232 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.187 0.360 -0.288 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.436 -0.790 -1.482 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.749 -1.159 -2.606 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.022 -1.448 -0.285 0.00 0.00 +0.037 A ATOM 29 C LIG 1 4.257 -0.744 0.903 0.00 0.00 +0.025 A ATOM 30 C LIG 1 4.794 -1.400 2.024 0.00 0.00 +0.056 A ATOM 31 C LIG 1 5.114 -2.763 1.926 0.00 0.00 +0.012 A ATOM 32 C LIG 1 4.896 -3.461 0.737 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.354 -2.804 -0.368 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 5.062 -0.636 3.298 0.00 0.00 +0.417 C ATOM 35 F LIG 1 4.977 -1.409 4.415 0.00 0.00 -0.166 F ATOM 36 F LIG 1 4.183 0.389 3.488 0.00 0.00 -0.166 F ATOM 37 F LIG 1 6.301 -0.076 3.318 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -0.024 4.992 -1.785 0.00 0.00 +0.025 C ATOM 39 C LIG 1 0.728 4.199 -0.723 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -2.897 -0.507 -1.871 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -3.930 -0.835 -0.903 0.00 0.00 -0.308 N ATOM 42 H LIG 1 -4.430 -0.022 -0.561 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -3.812 -1.939 -0.074 0.00 0.00 +0.238 C ATOM 44 O LIG 1 -3.003 -2.838 -0.323 0.00 0.00 -0.274 OA BRANCH 43 45 ATOM 45 C LIG 1 -4.727 -1.928 1.180 0.00 0.00 +0.179 C ATOM 46 C LIG 1 -4.444 -0.833 2.224 0.00 0.00 +0.193 C ATOM 47 O LIG 1 -4.373 -1.804 3.295 0.00 0.00 -0.376 OA ATOM 48 C LIG 1 -4.333 -2.881 2.326 0.00 0.00 +0.193 C BRANCH 45 49 ATOM 49 C LIG 1 -6.116 -2.040 0.795 0.00 0.00 +0.083 C ATOM 50 N LIG 1 -7.232 -2.103 0.483 0.00 0.00 -0.195 NA ENDBRANCH 45 49 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10