REMARK Name = BDB029296 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.886 -0.638 -0.750 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.321 0.421 -1.503 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.931 0.632 -1.561 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.124 -0.248 -0.846 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.363 -0.282 -0.711 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.604 -1.421 0.165 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.597 -2.037 0.535 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.823 -3.000 1.244 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.681 -1.286 -0.110 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.045 -1.508 -0.043 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.914 -1.816 0.555 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.044 -1.099 0.112 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.373 -1.446 0.457 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.523 -2.555 1.308 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.425 -3.282 1.763 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.133 -2.916 1.386 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.668 -0.589 -0.068 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.597 -0.092 -1.567 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.255 -1.433 -1.980 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.891 -1.463 -0.570 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.169 -1.362 -3.097 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -7.880 -1.303 -4.012 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.959 0.480 1.008 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -7.078 1.416 0.711 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -6.943 2.725 0.321 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -5.727 3.463 0.116 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -8.206 3.207 0.167 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -9.071 2.265 0.454 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -8.363 1.143 0.807 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 1.332 1.764 -2.350 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.445 1.322 -3.285 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.242 2.519 -3.020 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.630 2.624 -1.560 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.390 -0.828 -0.714 0.00 0.00 +0.119 C BRANCH 34 42 ATOM 35 C LIG 1 9.861 -0.222 0.500 0.00 0.00 +0.015 C ATOM 36 C LIG 1 8.377 -0.062 0.827 0.00 0.00 +0.069 C ATOM 37 C LIG 1 8.146 1.032 1.864 0.00 0.00 +0.254 C ATOM 38 F LIG 1 8.963 2.093 1.623 0.00 0.00 -0.205 F ATOM 39 F LIG 1 8.505 0.554 3.087 0.00 0.00 -0.205 F ATOM 40 C LIG 1 6.717 1.542 1.919 0.00 0.00 +0.091 C ATOM 41 C LIG 1 5.769 0.545 1.269 0.00 0.00 +0.090 C ATOM 42 N LIG 1 6.104 0.332 -0.151 0.00 0.00 -0.298 NA ATOM 43 C LIG 1 7.553 0.257 -0.417 0.00 0.00 +0.093 C ENDBRANCH 34 42 ENDBRANCH 1 34 TORSDOF 8