REMARK Name = BDB009454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.521 0.890 -0.065 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.307 2.247 -0.280 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.728 2.879 0.290 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.156 2.961 -1.118 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.234 2.314 -1.729 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.479 0.949 -1.495 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.602 0.235 -0.665 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 5.957 -1.338 -2.119 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 5.796 -0.761 -1.046 0.00 0.00 +0.250 C ATOM 10 N LIG 1 4.549 -0.330 -0.590 0.00 0.00 -0.296 N ATOM 11 C LIG 1 3.390 -0.710 -1.416 0.00 0.00 +0.127 C ATOM 12 C LIG 1 2.023 -0.118 -1.027 0.00 0.00 +0.127 C ATOM 13 N LIG 1 1.548 -0.381 0.343 0.00 0.00 -0.296 N ATOM 14 C LIG 1 0.357 0.146 0.846 0.00 0.00 +0.249 C ATOM 15 O LIG 1 -0.030 0.006 2.002 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 2.428 -1.086 1.268 0.00 0.00 +0.109 C ATOM 17 C LIG 1 3.606 -0.232 1.726 0.00 0.00 +0.038 C ATOM 18 C LIG 1 4.324 0.504 0.597 0.00 0.00 +0.109 C BRANCH 9 19 ATOM 19 C LIG 1 6.989 -0.526 -0.237 0.00 0.00 +0.073 A ATOM 20 C LIG 1 8.031 0.235 -0.715 0.00 0.00 +0.127 A ATOM 21 N LIG 1 9.161 0.467 -0.010 0.00 0.00 -0.243 NA ATOM 22 C LIG 1 9.228 -0.124 1.196 0.00 0.00 +0.221 A ATOM 23 N LIG 1 8.285 -0.911 1.745 0.00 0.00 -0.243 NA ATOM 24 C LIG 1 7.179 -1.108 0.996 0.00 0.00 +0.127 A ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 -3.648 0.271 -2.179 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -4.389 -0.734 -1.307 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -5.317 -0.226 -0.238 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -5.459 1.135 0.021 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -4.621 1.677 -0.184 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -6.133 1.576 1.240 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -7.359 0.702 1.486 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -6.979 -0.784 1.526 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -5.999 -1.157 0.447 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -5.784 -2.595 0.174 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -6.391 -3.467 0.789 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -4.861 -2.893 -0.793 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -4.704 -3.875 -0.994 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -4.174 -1.994 -1.550 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4