REMARK Name = BDB028057 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.443 -0.231 -1.180 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.335 0.430 -1.723 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.257 1.387 -2.471 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -0.863 -0.246 -1.208 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.193 0.038 -1.463 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.165 -0.762 -0.845 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.759 -1.825 -0.001 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.401 -2.096 0.253 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.462 -1.282 -0.373 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.030 -1.322 -0.308 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 5.213 -0.395 -0.978 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.833 -0.639 -0.766 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.811 0.063 -1.434 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.195 1.047 -2.348 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.543 1.315 -2.588 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.531 0.603 -1.915 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 6.354 -1.188 -0.169 0.00 0.00 +0.049 C ATOM 18 C LIG 1 7.607 -1.685 -0.944 0.00 0.00 +0.174 C ATOM 19 O LIG 1 7.490 -3.005 -0.350 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 6.130 -2.711 0.042 0.00 0.00 +0.174 C BRANCH 17 21 ATOM 21 C LIG 1 6.680 -0.482 1.163 0.00 0.00 +0.092 C BRANCH 21 24 ATOM 22 C LIG 1 5.262 2.231 1.814 0.00 0.00 +0.151 C ATOM 23 N LIG 1 6.575 2.064 1.252 0.00 0.00 -0.320 N ATOM 24 C LIG 1 7.228 0.892 0.966 0.00 0.00 +0.134 A ATOM 25 N LIG 1 8.412 1.187 0.468 0.00 0.00 -0.135 NA ATOM 26 N LIG 1 8.529 2.554 0.413 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 7.419 3.067 0.888 0.00 0.00 +0.224 A ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -0.972 -3.222 1.154 0.00 0.00 +0.418 C ATOM 29 F LIG 1 -0.161 -2.789 2.160 0.00 0.00 -0.166 F ATOM 30 F LIG 1 -0.255 -4.168 0.487 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.001 -3.877 1.754 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 -4.638 -0.510 -1.105 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 -5.417 -0.359 0.133 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 -5.123 0.863 0.889 0.00 0.00 +0.097 C ATOM 35 C LIG 1 -6.186 1.967 0.876 0.00 0.00 +0.108 C ATOM 36 C LIG 1 -7.602 1.423 1.148 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -7.702 -0.109 1.062 0.00 0.00 +0.108 C ATOM 38 C LIG 1 -6.843 -0.630 -0.088 0.00 0.00 +0.097 C BRANCH 35 39 ATOM 39 C LIG 1 -6.128 2.791 -0.401 0.00 0.00 +0.394 C ATOM 40 F LIG 1 -6.481 2.078 -1.490 0.00 0.00 -0.170 F ATOM 41 F LIG 1 -4.886 3.279 -0.611 0.00 0.00 -0.170 F ATOM 42 F LIG 1 -6.967 3.849 -0.321 0.00 0.00 -0.170 F ENDBRANCH 35 39 BRANCH 37 43 ATOM 43 C LIG 1 -9.142 -0.555 0.886 0.00 0.00 +0.394 C ATOM 44 F LIG 1 -9.238 -1.902 0.862 0.00 0.00 -0.170 F ATOM 45 F LIG 1 -9.670 -0.084 -0.264 0.00 0.00 -0.170 F ATOM 46 F LIG 1 -9.910 -0.112 1.905 0.00 0.00 -0.170 F ENDBRANCH 37 43 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9