REMARK Name = BDB037368 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.081 -1.881 -1.340 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.811 -0.921 -0.625 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -1.326 0.318 -0.234 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.506 1.088 -0.082 0.00 0.00 +0.093 A ATOM 5 N LIG 1 -3.610 0.341 -0.189 0.00 0.00 -0.167 NA ATOM 6 C LIG 1 0.136 0.621 -0.276 0.00 0.00 +0.083 C ATOM 7 C LIG 1 0.950 -0.686 -0.461 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -3.155 -0.931 -0.269 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.289 -1.617 -1.504 0.00 0.00 +0.242 C ATOM 10 O LIG 1 0.972 -2.141 -2.391 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 0.498 1.322 1.027 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.183 2.551 0.980 0.00 0.00 +0.007 A ATOM 13 C LIG 1 1.598 3.183 2.154 0.00 0.00 +0.038 A ATOM 14 C LIG 1 1.345 2.586 3.381 0.00 0.00 +0.123 A ATOM 15 F LIG 1 1.741 3.196 4.506 0.00 0.00 -0.205 F ATOM 16 C LIG 1 0.683 1.369 3.459 0.00 0.00 +0.038 A ATOM 17 C LIG 1 0.262 0.736 2.287 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.997 -2.011 0.112 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -3.459 -3.244 0.504 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -4.305 -4.280 0.907 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.685 -4.086 0.938 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.224 -2.852 0.579 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -5.385 -1.812 0.175 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.327 -0.434 -0.917 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.524 -0.751 -1.863 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.378 -0.414 -0.027 0.00 0.00 +0.245 C ATOM 27 O LIG 1 3.233 -0.490 1.187 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.748 -0.339 -0.612 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.829 -0.768 0.170 0.00 0.00 +0.025 A ATOM 30 C LIG 1 7.143 -0.712 -0.325 0.00 0.00 +0.056 A ATOM 31 C LIG 1 7.356 -0.225 -1.623 0.00 0.00 +0.012 A ATOM 32 C LIG 1 6.285 0.217 -2.401 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.984 0.167 -1.897 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 8.296 -1.205 0.515 0.00 0.00 +0.417 C ATOM 35 F LIG 1 8.135 -0.956 1.844 0.00 0.00 -0.166 F ATOM 36 F LIG 1 8.479 -2.549 0.402 0.00 0.00 -0.166 F ATOM 37 F LIG 1 9.487 -0.636 0.173 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 4 38 ATOM 38 C LIG 1 -2.660 2.676 0.087 0.00 0.00 +0.088 C ATOM 39 C LIG 1 -1.692 3.596 -0.631 0.00 0.00 +0.035 C ATOM 40 C LIG 1 -3.054 3.399 -1.202 0.00 0.00 +0.035 C BRANCH 38 41 ATOM 41 N LIG 1 -3.314 3.151 1.350 0.00 0.00 -0.261 N ATOM 42 C LIG 1 -2.467 3.026 2.547 0.00 0.00 +0.142 C BRANCH 41 43 ATOM 43 C LIG 1 -4.632 2.882 1.370 0.00 0.00 +0.170 C ATOM 44 N LIG 1 -5.774 2.694 1.420 0.00 0.00 -0.174 NA ENDBRANCH 41 43 ENDBRANCH 38 41 ENDBRANCH 4 38 BRANCH 1 46 ATOM 45 C LIG 1 -2.047 -2.100 -3.620 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -1.697 -2.796 -2.311 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 9