REMARK Name = BDB035523 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.463 0.690 0.501 0.00 0.00 -0.029 A ATOM 2 C LIG 1 2.915 0.944 1.782 0.00 0.00 +0.018 A ATOM 3 C LIG 1 1.537 0.802 2.043 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.725 0.393 0.989 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.749 0.152 0.958 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.003 -0.257 -0.417 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.179 -0.267 -1.168 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.382 -0.532 -2.338 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.264 0.143 -0.266 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.612 0.281 -0.540 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.301 -0.617 -0.876 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.421 -0.503 -0.027 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.737 -0.851 -0.417 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.876 -1.354 -1.725 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.790 -1.472 -2.590 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.515 -1.100 -2.168 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -6.025 -0.708 0.551 0.00 0.00 +0.066 C ATOM 18 C LIG 1 -5.864 -0.182 2.015 0.00 0.00 +0.095 C ATOM 19 C LIG 1 -5.722 -1.647 2.470 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -6.302 -1.948 3.652 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -4.449 -2.100 2.537 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -6.510 -2.048 1.208 0.00 0.00 +0.095 C BRANCH 17 23 ATOM 23 C LIG 1 -7.180 0.076 -0.194 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -7.126 1.338 -0.721 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -6.013 2.247 -0.729 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -8.352 1.571 -1.262 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -9.118 0.522 -1.079 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -8.379 -0.423 -0.409 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 0.958 1.069 3.407 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.449 -0.056 3.978 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.072 1.959 3.362 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.855 1.575 4.296 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 34 ATOM 33 C LIG 1 5.191 2.059 -0.665 0.00 0.00 +0.029 C ATOM 34 C LIG 1 4.965 0.861 0.263 0.00 0.00 +0.081 C BRANCH 34 35 ATOM 35 N LIG 1 5.517 -0.406 -0.241 0.00 0.00 -0.304 NA ATOM 36 H LIG 1 5.173 -1.157 0.358 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.980 -0.440 -0.402 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.367 0.058 -1.823 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.230 -1.212 -1.973 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.323 -1.875 -0.917 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.795 0.006 0.798 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 1 34 TORSDOF 7