REMARK Name = BDB010153 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.643 -1.139 0.984 0.00 0.00 +0.149 A ATOM 2 C LIG 1 0.358 -1.622 0.752 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.136 -2.663 1.513 0.00 0.00 +0.185 A ATOM 4 N LIG 1 -1.400 -2.995 1.140 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.738 -2.167 0.176 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.548 -3.279 2.488 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.782 -2.780 2.641 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -0.656 -1.360 -0.151 0.00 0.00 -0.303 N ATOM 9 N LIG 1 2.346 -1.763 1.948 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.941 -2.162 -0.461 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -3.771 -3.390 -0.427 0.00 0.00 +0.099 C ATOM 12 C LIG 1 -4.415 -3.637 0.941 0.00 0.00 +0.030 C ATOM 13 C LIG 1 -4.836 -3.299 -1.542 0.00 0.00 +0.182 C ATOM 14 O LIG 1 -5.727 -2.181 -1.429 0.00 0.00 -0.376 OA ATOM 15 C LIG 1 -5.134 -1.024 -0.828 0.00 0.00 +0.179 C ATOM 16 C LIG 1 -3.604 -0.945 -0.945 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 2.200 -0.083 0.278 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.521 0.602 -0.029 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 3.101 1.456 1.962 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.432 0.531 0.789 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 4.107 1.270 -0.376 0.00 0.00 +0.009 C ATOM 22 C LIG 1 3.449 2.530 -1.012 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.878 3.027 -1.316 0.00 0.00 +0.001 C ATOM 24 C LIG 1 5.358 2.162 -0.131 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 7 25 ATOM 25 C LIG 1 2.652 -3.395 3.706 0.00 0.00 +0.375 C ATOM 26 O LIG 1 3.786 -3.058 4.008 0.00 0.00 -0.242 OA BRANCH 25 27 ATOM 27 O LIG 1 2.060 -4.420 4.363 0.00 0.00 -0.475 OA ATOM 28 H LIG 1 2.734 -4.711 5.010 0.00 0.00 +0.296 HD ENDBRANCH 25 27 ENDBRANCH 7 25 BRANCH 8 29 ATOM 29 C LIG 1 -0.481 -0.600 -1.381 0.00 0.00 +0.160 C BRANCH 29 30 ATOM 30 C LIG 1 -0.649 0.901 -1.246 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.410 1.688 -2.385 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.512 3.081 -2.332 0.00 0.00 +0.013 A ATOM 33 C LIG 1 -0.863 3.724 -1.139 0.00 0.00 +0.055 A ATOM 34 C LIG 1 -1.101 2.944 0.001 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -1.000 1.551 -0.053 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 -0.943 5.230 -1.070 0.00 0.00 +0.417 C ATOM 37 F LIG 1 0.244 5.793 -0.717 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.856 5.675 -0.162 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -1.291 5.801 -2.257 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 9