REMARK Name = BDB035489 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.571 -1.070 -1.108 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.051 0.037 -0.522 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.399 1.099 -0.135 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.483 -0.272 -0.432 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.502 0.506 0.087 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.802 -0.015 0.062 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.027 -1.305 -0.481 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.977 -2.083 -1.006 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.698 -1.535 -0.968 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.399 -2.108 -1.433 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.278 -0.408 -1.239 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.900 -0.255 -0.979 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.961 -1.223 -1.367 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.440 -2.369 -2.022 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.802 -2.539 -2.283 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.716 -1.566 -1.893 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.295 0.641 -0.796 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -4.648 1.666 -3.700 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -4.679 2.455 -2.499 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -4.950 2.045 -1.215 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -4.909 3.107 -0.432 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -4.596 4.204 -1.195 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -4.450 3.795 -2.432 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.467 0.529 0.730 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -6.109 -0.781 1.273 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -6.876 0.069 2.314 0.00 0.00 +0.092 C ATOM 27 C LIG 1 -6.676 1.276 1.367 0.00 0.00 +0.023 C BRANCH 26 28 ATOM 28 C LIG 1 -6.253 0.172 3.620 0.00 0.00 +0.066 C ATOM 29 N LIG 1 -5.768 0.232 4.672 0.00 0.00 -0.196 NA ENDBRANCH 26 28 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 3.216 -3.455 -1.573 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.747 -3.572 -2.847 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.581 -4.425 -0.859 0.00 0.00 -0.166 F ATOM 33 F LIG 1 4.526 -3.816 -1.622 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 4.960 0.778 0.628 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.455 0.142 1.849 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 4.706 0.145 2.543 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 6.707 0.744 2.329 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.888 0.285 1.428 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.648 -0.084 2.719 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.277 -0.218 3.414 0.00 0.00 +0.022 C ATOM 41 C LIG 1 6.608 2.203 2.736 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9