REMARK Name = BDB018627 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.802 -0.193 0.471 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.389 0.477 -0.678 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.756 0.151 -1.295 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.154 1.513 -1.205 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.360 1.866 -0.595 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.818 1.173 0.536 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.022 0.148 1.071 0.00 0.00 +0.020 A ENDROOT BRANCH 1 16 ATOM 8 C LIG 1 4.230 1.205 1.504 0.00 0.00 +0.032 C ATOM 9 C LIG 1 3.435 0.095 0.808 0.00 0.00 +0.105 C ATOM 10 N LIG 1 4.090 -1.205 0.878 0.00 0.00 -0.304 N ATOM 11 C LIG 1 3.475 -2.343 1.342 0.00 0.00 +0.152 A ATOM 12 N LIG 1 4.361 -3.311 1.402 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 5.529 -2.838 0.861 0.00 0.00 -0.127 NA ATOM 14 C LIG 1 2.034 -2.413 1.692 0.00 0.00 +0.184 C ATOM 15 N LIG 1 1.341 -1.220 1.205 0.00 0.00 -0.288 N ATOM 16 C LIG 1 -0.036 -1.326 1.028 0.00 0.00 +0.250 C ATOM 17 O LIG 1 -0.672 -2.338 1.321 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 5.343 -1.591 0.456 0.00 0.00 +0.186 A ATOM 19 C LIG 1 2.035 0.042 1.459 0.00 0.00 +0.133 C BRANCH 18 20 ATOM 20 C LIG 1 6.293 -0.801 -0.323 0.00 0.00 +0.143 A ATOM 21 C LIG 1 7.665 -1.030 -0.262 0.00 0.00 +0.152 A ATOM 22 F LIG 1 8.199 -1.942 0.562 0.00 0.00 -0.203 F ATOM 23 C LIG 1 8.514 -0.275 -1.063 0.00 0.00 +0.042 A ATOM 24 C LIG 1 7.974 0.683 -1.913 0.00 0.00 +0.023 A ATOM 25 C LIG 1 6.598 0.851 -1.921 0.00 0.00 +0.112 A ATOM 26 N LIG 1 5.747 0.140 -1.145 0.00 0.00 -0.249 NA ENDBRANCH 18 20 ENDBRANCH 1 16 BRANCH 6 27 ATOM 27 C LIG 1 -4.133 1.536 1.192 0.00 0.00 +0.093 C BRANCH 27 28 ATOM 28 C LIG 1 -5.299 1.604 0.215 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -5.934 0.354 -0.277 0.00 0.00 +0.011 A ATOM 30 C LIG 1 -6.986 0.490 -1.182 0.00 0.00 +0.050 A ATOM 31 C LIG 1 -7.637 -0.638 -1.697 0.00 0.00 +0.014 A ATOM 32 C LIG 1 -7.230 -1.912 -1.305 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.179 -2.055 -0.401 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.411 1.838 -1.593 0.00 0.00 +0.272 A ATOM 35 O LIG 1 -8.332 2.006 -2.384 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -6.717 2.885 -1.039 0.00 0.00 -0.242 N ATOM 37 H LIG 1 -7.000 3.822 -1.309 0.00 0.00 +0.192 HD ATOM 38 C LIG 1 -5.531 -0.928 0.115 0.00 0.00 +0.010 A ATOM 39 N LIG 1 -5.685 2.789 -0.160 0.00 0.00 -0.175 NA ENDBRANCH 27 28 ENDBRANCH 6 27 TORSDOF 4