REMARK Name = BDB010255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.878 -1.574 0.272 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.559 -1.351 -0.131 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.034 -2.186 -1.064 0.00 0.00 +0.184 A ATOM 4 N LIG 1 1.304 -1.796 -1.360 0.00 0.00 -0.203 NA ATOM 5 C LIG 1 1.535 -0.732 -0.609 0.00 0.00 +0.199 A ATOM 6 N LIG 1 -0.564 -3.248 -1.617 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.804 -3.423 -1.155 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.442 -0.454 0.193 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -2.481 -2.660 -0.251 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 2.802 -0.014 -0.677 0.00 0.00 +0.280 C ATOM 11 N LIG 1 3.711 -0.625 -1.509 0.00 0.00 -0.300 N ATOM 12 H LIG 1 3.417 -1.534 -1.860 0.00 0.00 +0.150 HD ATOM 13 O LIG 1 3.033 1.029 -0.075 0.00 0.00 -0.267 OA BRANCH 11 14 ATOM 14 CA LIG 1 5.133 -0.305 -1.577 0.00 0.00 +0.129 C BRANCH 14 15 ATOM 15 C LIG 1 5.859 -0.812 -0.344 0.00 0.00 -0.025 A ATOM 16 C LIG 1 5.990 -0.038 0.819 0.00 0.00 +0.005 A ATOM 17 C LIG 1 6.647 -0.543 1.944 0.00 0.00 +0.000 A ATOM 18 C LIG 1 7.175 -1.831 1.925 0.00 0.00 +0.000 A ATOM 19 C LIG 1 7.042 -2.619 0.785 0.00 0.00 +0.000 A ATOM 20 C LIG 1 6.385 -2.116 -0.340 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 C LIG 1 5.419 1.169 -1.946 0.00 0.00 +0.182 C BRANCH 21 22 ATOM 22 O LIG 1 4.836 1.489 -3.213 0.00 0.00 -0.393 OA ATOM 23 H LIG 1 3.892 1.260 -3.140 0.00 0.00 +0.209 HD ENDBRANCH 21 22 ENDBRANCH 14 21 ENDBRANCH 11 14 ENDBRANCH 5 10 BRANCH 1 24 ATOM 24 N LIG 1 -2.533 -0.738 1.149 0.00 0.00 -0.324 N ATOM 25 H LIG 1 -2.228 0.225 1.057 0.00 0.00 +0.148 HD BRANCH 24 27 ATOM 26 C LIG 1 -4.369 -2.195 2.023 0.00 0.00 +0.028 C ATOM 27 C LIG 1 -3.945 -0.817 1.525 0.00 0.00 +0.072 C BRANCH 27 28 ATOM 28 C LIG 1 -4.935 -0.268 0.494 0.00 0.00 +0.009 C ATOM 29 C LIG 1 -4.989 -0.736 -0.990 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -5.444 0.699 -1.339 0.00 0.00 +0.001 C ATOM 31 C LIG 1 -4.691 1.161 -0.074 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 1 24 BRANCH 7 32 ATOM 32 C LIG 1 -2.592 -4.582 -1.709 0.00 0.00 +0.375 C ATOM 33 O LIG 1 -2.191 -5.413 -2.505 0.00 0.00 -0.242 OA BRANCH 32 34 ATOM 34 O LIG 1 -3.857 -4.587 -1.202 0.00 0.00 -0.475 OA ATOM 35 H LIG 1 -3.957 -3.827 -0.585 0.00 0.00 +0.296 HD ENDBRANCH 32 34 ENDBRANCH 7 32 BRANCH 8 36 ATOM 36 C LIG 1 0.423 0.508 1.291 0.00 0.00 +0.159 C BRANCH 36 37 ATOM 37 C LIG 1 -0.308 1.792 0.966 0.00 0.00 -0.028 A ATOM 38 C LIG 1 -1.076 2.408 1.968 0.00 0.00 +0.006 A ATOM 39 C LIG 1 -1.771 3.593 1.713 0.00 0.00 +0.013 A ATOM 40 C LIG 1 -1.694 4.207 0.456 0.00 0.00 +0.055 A ATOM 41 C LIG 1 -0.909 3.608 -0.538 0.00 0.00 +0.013 A ATOM 42 C LIG 1 -0.214 2.421 -0.282 0.00 0.00 +0.006 A BRANCH 40 43 ATOM 43 C LIG 1 -2.469 5.471 0.173 0.00 0.00 +0.417 C ATOM 44 F LIG 1 -2.553 6.295 1.254 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.752 5.211 -0.200 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -1.931 6.221 -0.829 0.00 0.00 -0.166 F ENDBRANCH 40 43 ENDBRANCH 36 37 ENDBRANCH 8 36 TORSDOF 13