REMARK Name = BDB042910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.587 -0.336 1.464 0.00 0.00 -0.310 N ATOM 2 C LIG 1 -0.175 -0.603 1.120 0.00 0.00 +0.116 C ATOM 3 C LIG 1 0.352 -1.471 2.255 0.00 0.00 +0.013 C ATOM 4 C LIG 1 0.452 -3.003 1.975 0.00 0.00 +0.094 C ATOM 5 N LIG 1 1.735 -2.976 2.695 0.00 0.00 -0.298 NA ATOM 6 C LIG 1 1.890 -1.540 2.432 0.00 0.00 +0.094 C ATOM 7 C LIG 1 -0.519 -1.092 3.447 0.00 0.00 +0.030 C ATOM 8 C LIG 1 -1.886 -0.927 2.783 0.00 0.00 +0.107 C ENDROOT BRANCH 1 10 ATOM 9 C LIG 1 -3.816 -0.172 0.443 0.00 0.00 +0.280 A ATOM 10 C LIG 1 -2.529 -0.730 0.491 0.00 0.00 +0.187 A ATOM 11 N LIG 1 -2.189 -1.700 -0.386 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 -3.136 -2.058 -1.266 0.00 0.00 +0.247 A ATOM 13 N LIG 1 -4.391 -1.573 -1.319 0.00 0.00 -0.134 NA ATOM 14 N LIG 1 -4.745 -0.619 -0.433 0.00 0.00 -0.106 NA BRANCH 9 15 ATOM 15 O LIG 1 -4.277 0.779 1.320 0.00 0.00 -0.434 OA BRANCH 15 17 ATOM 16 C LIG 1 -3.108 2.748 0.342 0.00 0.00 +0.082 A ATOM 17 C LIG 1 -3.632 1.993 1.401 0.00 0.00 +0.143 A ATOM 18 C LIG 1 -3.590 2.527 2.698 0.00 0.00 +0.050 A ATOM 19 C LIG 1 -2.982 3.759 2.943 0.00 0.00 +0.042 A ATOM 20 C LIG 1 -2.432 4.471 1.885 0.00 0.00 +0.124 A ATOM 21 F LIG 1 -1.845 5.651 2.121 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -2.488 3.982 0.588 0.00 0.00 +0.055 A BRANCH 16 24 ATOM 23 N LIG 1 -4.283 2.458 -1.826 0.00 0.00 -0.295 N ATOM 24 C LIG 1 -3.120 2.311 -1.063 0.00 0.00 +0.250 C ATOM 25 O LIG 1 -2.059 1.867 -1.501 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 -4.219 1.971 -3.221 0.00 0.00 +0.070 C ATOM 27 C LIG 1 -3.712 3.069 -4.160 0.00 0.00 +0.028 C ATOM 28 C LIG 1 -5.529 1.375 -3.738 0.00 0.00 +0.028 C ENDBRANCH 23 26 BRANCH 23 30 ATOM 29 C LIG 1 -6.548 2.543 -0.751 0.00 0.00 +0.024 C ATOM 30 C LIG 1 -5.413 3.305 -1.417 0.00 0.00 +0.105 C ENDBRANCH 23 30 ENDBRANCH 16 24 ENDBRANCH 15 17 ENDBRANCH 9 15 ENDBRANCH 1 10 BRANCH 5 31 ATOM 31 C LIG 1 2.816 -3.845 2.203 0.00 0.00 +0.059 C BRANCH 31 32 ATOM 32 C LIG 1 2.780 -5.127 3.119 0.00 0.00 -0.000 C ATOM 33 C LIG 1 2.901 -4.773 4.613 0.00 0.00 +0.009 C ATOM 34 C LIG 1 3.881 -6.145 2.787 0.00 0.00 +0.009 C ENDBRANCH 31 32 BRANCH 31 35 ATOM 35 C LIG 1 2.853 -4.251 0.700 0.00 0.00 +0.020 C BRANCH 35 36 ATOM 36 C LIG 1 2.965 -3.147 -0.357 0.00 0.00 +0.017 C BRANCH 36 37 ATOM 37 C LIG 1 4.287 -2.367 -0.294 0.00 0.00 +0.084 C BRANCH 37 38 ATOM 38 N LIG 1 4.244 -1.199 -1.191 0.00 0.00 -0.305 NA ATOM 39 C LIG 1 4.430 -1.596 -2.591 0.00 0.00 +0.104 C BRANCH 38 40 ATOM 40 C LIG 1 5.243 -0.194 -0.783 0.00 0.00 +0.084 C BRANCH 40 41 ATOM 41 C LIG 1 5.044 1.179 -1.442 0.00 0.00 +0.024 C BRANCH 41 42 ATOM 42 C LIG 1 3.627 1.725 -1.238 0.00 0.00 +0.097 C BRANCH 42 43 ATOM 43 C LIG 1 3.471 3.147 -1.752 0.00 0.00 +0.215 C ATOM 44 N LIG 1 2.203 3.712 -1.638 0.00 0.00 -0.308 N ATOM 45 C LIG 1 1.002 2.958 -1.304 0.00 0.00 +0.131 C ATOM 46 C LIG 1 1.983 5.033 -2.203 0.00 0.00 +0.131 C ATOM 47 O LIG 1 4.426 3.763 -2.226 0.00 0.00 -0.276 OA ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 35 36 ENDBRANCH 31 35 ENDBRANCH 5 31 TORSDOF 16