REMARK Name = BDB027199 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.457 0.397 -0.923 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.772 1.345 0.066 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.184 1.502 1.072 0.00 0.00 +0.134 A ATOM 4 N LIG 1 1.364 0.839 1.159 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 1.645 -0.077 0.205 0.00 0.00 +0.071 A ATOM 6 C LIG 1 0.761 -0.309 -0.845 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 2.927 -0.797 0.356 0.00 0.00 +0.001 A ATOM 8 C LIG 1 4.036 -0.161 0.953 0.00 0.00 +0.017 A ATOM 9 C LIG 1 5.235 -0.846 1.077 0.00 0.00 -0.002 A ATOM 10 C LIG 1 6.502 -0.425 1.713 0.00 0.00 +0.080 C ATOM 11 C LIG 1 7.409 -1.548 1.206 0.00 0.00 +0.234 C ATOM 12 O LIG 1 6.596 -2.692 0.847 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 5.356 -2.151 0.636 0.00 0.00 +0.124 A ATOM 14 C LIG 1 4.298 -2.825 0.068 0.00 0.00 +0.046 A ATOM 15 C LIG 1 3.084 -2.141 -0.072 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 16 ATOM 16 N LIG 1 -1.966 2.062 0.010 0.00 0.00 -0.327 N ATOM 17 C LIG 1 -2.784 2.204 1.228 0.00 0.00 +0.126 C ATOM 18 C LIG 1 -2.546 3.532 1.982 0.00 0.00 +0.102 C ATOM 19 C LIG 1 -2.594 4.712 0.998 0.00 0.00 +0.186 C ATOM 20 F LIG 1 -3.864 4.830 0.507 0.00 0.00 -0.244 F ATOM 21 C LIG 1 -1.647 4.508 -0.173 0.00 0.00 +0.057 C ATOM 22 C LIG 1 -1.980 3.215 -0.904 0.00 0.00 +0.108 C BRANCH 18 23 ATOM 23 N LIG 1 -3.514 3.728 3.079 0.00 0.00 -0.324 NA ATOM 24 H LIG 1 -4.434 3.924 2.676 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.615 2.870 3.621 0.00 0.00 +0.119 HD ENDBRANCH 18 23 ENDBRANCH 2 16 BRANCH 1 26 ATOM 26 C LIG 1 -1.420 0.030 -2.028 0.00 0.00 +0.161 C BRANCH 26 31 ATOM 27 C LIG 1 -3.114 -4.471 -1.467 0.00 0.00 +0.147 A ATOM 28 C LIG 1 -3.114 -3.071 -1.357 0.00 0.00 +0.147 A ATOM 29 N LIG 1 -4.017 -2.178 -0.813 0.00 0.00 -0.231 NA ATOM 30 C LIG 1 -3.474 -0.994 -1.008 0.00 0.00 +0.202 A ATOM 31 N LIG 1 -2.261 -1.084 -1.638 0.00 0.00 -0.310 N ATOM 32 C LIG 1 -2.012 -2.408 -1.873 0.00 0.00 +0.166 A ATOM 33 N LIG 1 -0.938 -2.954 -2.469 0.00 0.00 -0.216 NA ATOM 34 C LIG 1 -1.047 -4.298 -2.508 0.00 0.00 +0.225 A ATOM 35 N LIG 1 -2.049 -5.075 -2.042 0.00 0.00 -0.219 NA BRANCH 27 36 ATOM 36 N LIG 1 -4.148 -5.272 -0.996 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -4.720 -4.814 -0.295 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -3.840 -6.217 -0.808 0.00 0.00 +0.144 HD ENDBRANCH 27 36 ENDBRANCH 26 31 ENDBRANCH 1 26 TORSDOF 6