REMARK Name = BDB027200 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.171 -0.640 -0.067 0.00 0.00 +0.071 A ATOM 2 N LIG 1 1.616 -1.721 -0.660 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.279 -1.893 -0.532 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.582 -1.047 0.175 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.014 0.049 0.817 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.401 0.248 0.683 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.430 -0.185 -0.645 0.00 0.00 +0.155 A ATOM 8 C LIG 1 5.837 -1.446 -0.559 0.00 0.00 +0.165 A ATOM 9 F LIG 1 6.593 -2.552 -0.651 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.463 -1.595 -0.376 0.00 0.00 +0.052 A ATOM 11 C LIG 1 3.624 -0.475 -0.263 0.00 0.00 +0.003 A ATOM 12 C LIG 1 4.228 0.793 -0.359 0.00 0.00 +0.014 A ATOM 13 C LIG 1 5.612 0.940 -0.546 0.00 0.00 +0.049 A BRANCH 7 15 ATOM 14 C LIG 1 8.413 1.097 -0.956 0.00 0.00 +0.277 C ATOM 15 O LIG 1 7.786 -0.172 -0.823 0.00 0.00 -0.492 OA ENDBRANCH 7 15 ENDBRANCH 1 11 BRANCH 4 16 ATOM 16 N LIG 1 -1.975 -1.259 0.289 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.261 -2.375 1.222 0.00 0.00 +0.126 C ATOM 18 C LIG 1 -3.784 -2.446 1.495 0.00 0.00 +0.097 C ATOM 19 C LIG 1 -4.554 -2.598 0.157 0.00 0.00 +0.138 C ATOM 20 C LIG 1 -4.151 -1.483 -0.815 0.00 0.00 +0.052 C ATOM 21 C LIG 1 -2.636 -1.449 -1.020 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 N LIG 1 -4.141 -3.545 2.414 0.00 0.00 -0.324 NA ATOM 23 H LIG 1 -4.062 -4.421 1.891 0.00 0.00 +0.119 HD ATOM 24 H LIG 1 -3.464 -3.602 3.173 0.00 0.00 +0.119 HD ENDBRANCH 18 22 BRANCH 19 25 ATOM 25 O LIG 1 -4.240 -3.888 -0.405 0.00 0.00 -0.378 OA ATOM 26 C LIG 1 -5.277 -4.393 -1.240 0.00 0.00 +0.194 C ENDBRANCH 19 25 ENDBRANCH 4 16 BRANCH 5 27 ATOM 27 C LIG 1 -0.793 1.044 1.613 0.00 0.00 +0.161 C BRANCH 27 28 ATOM 28 N LIG 1 -1.169 2.184 0.803 0.00 0.00 -0.310 N ATOM 29 C LIG 1 -0.469 3.352 0.671 0.00 0.00 +0.166 A ATOM 30 C LIG 1 -1.242 4.133 -0.173 0.00 0.00 +0.147 A ATOM 31 C LIG 1 -0.740 5.407 -0.487 0.00 0.00 +0.147 A ATOM 32 N LIG 1 0.432 5.795 0.066 0.00 0.00 -0.219 NA ATOM 33 C LIG 1 1.077 4.926 0.873 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -2.403 3.474 -0.530 0.00 0.00 -0.231 NA ATOM 35 N LIG 1 0.708 3.679 1.233 0.00 0.00 -0.216 NA ATOM 36 C LIG 1 -2.323 2.308 0.075 0.00 0.00 +0.202 A BRANCH 31 37 ATOM 37 N LIG 1 -1.402 6.301 -1.320 0.00 0.00 -0.341 N ATOM 38 H LIG 1 -2.391 6.102 -1.417 0.00 0.00 +0.144 HD ATOM 39 H LIG 1 -1.127 7.259 -1.147 0.00 0.00 +0.144 HD ENDBRANCH 31 37 ENDBRANCH 27 28 ENDBRANCH 5 27 TORSDOF 8