REMARK Name = BDB026089 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.875 0.445 0.400 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.384 1.733 0.636 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.227 2.765 0.794 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.983 1.991 0.731 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.911 0.958 0.593 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -1.423 -0.357 0.369 0.00 0.00 +0.056 A ATOM 7 C LIG 1 -0.049 -0.602 0.266 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -3.307 1.157 0.644 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.848 1.944 1.775 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.127 3.439 1.443 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.778 4.132 2.647 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.864 3.663 0.168 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.271 3.262 0.239 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.110 2.977 -0.920 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -4.711 3.220 -2.309 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.907 1.456 -0.680 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 4.977 -0.574 -0.247 0.00 0.00 -0.310 N ATOM 18 C LIG 1 4.641 0.837 -0.486 0.00 0.00 +0.111 C ATOM 19 C LIG 1 3.127 0.973 -0.714 0.00 0.00 +0.054 C ATOM 20 C LIG 1 2.321 0.173 0.280 0.00 0.00 -0.038 C ATOM 21 C LIG 1 2.914 -0.765 1.045 0.00 0.00 -0.004 C ATOM 22 C LIG 1 4.375 -1.123 0.976 0.00 0.00 +0.134 C BRANCH 17 26 ATOM 23 C LIG 1 9.043 -1.465 -0.547 0.00 0.00 +0.063 A ATOM 24 N LIG 1 8.379 -1.701 0.600 0.00 0.00 -0.152 NA ATOM 25 N LIG 1 7.033 -1.407 0.691 0.00 0.00 -0.134 NA ATOM 26 C LIG 1 6.355 -0.858 -0.342 0.00 0.00 +0.144 A ATOM 27 C LIG 1 7.035 -0.621 -1.533 0.00 0.00 +0.047 A ATOM 28 C LIG 1 8.393 -0.920 -1.640 0.00 0.00 +0.028 A BRANCH 23 30 ATOM 29 C LIG 1 11.360 -0.603 -0.179 0.00 0.00 +0.010 C ATOM 30 C LIG 1 10.507 -1.795 -0.584 0.00 0.00 +0.054 C ENDBRANCH 23 30 ENDBRANCH 17 26 ENDBRANCH 1 20 BRANCH 6 31 ATOM 31 N LIG 1 -2.408 -1.367 0.289 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.345 -0.992 0.417 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.228 -2.720 0.153 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -1.175 -3.336 0.063 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.517 -3.467 0.177 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -4.475 -3.470 -0.923 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.607 -4.192 -0.806 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.884 -4.974 0.425 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.918 -5.616 0.548 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.915 -4.920 1.396 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.093 -5.469 2.229 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.755 -4.194 1.281 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -4.154 -2.694 -2.161 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -4.190 -1.356 -1.928 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -5.048 -2.925 -3.159 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.931 -2.985 -2.663 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 6 31 TORSDOF 7