REMARK Name = BDB008803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.634 -1.554 0.357 0.00 0.00 +0.144 A ATOM 2 N LIG 1 -0.604 -0.739 -0.095 0.00 0.00 -0.315 N ATOM 3 C LIG 1 0.516 -1.017 0.664 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.055 -1.915 1.613 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.794 -2.408 2.620 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.040 -1.905 2.615 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.580 -1.038 1.736 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 1.842 -0.587 0.706 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.247 -2.247 1.410 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 15 ATOM 10 C LIG 1 -6.997 -1.749 -1.779 0.00 0.00 +0.047 C ATOM 11 C LIG 1 -5.606 -1.675 -1.228 0.00 0.00 -0.015 A ATOM 12 C LIG 1 -4.520 -2.111 -1.989 0.00 0.00 +0.127 A ATOM 13 F LIG 1 -4.718 -2.568 -3.234 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -3.221 -2.081 -1.489 0.00 0.00 +0.050 A ATOM 15 C LIG 1 -2.985 -1.604 -0.198 0.00 0.00 +0.020 A ATOM 16 C LIG 1 -4.071 -1.198 0.589 0.00 0.00 +0.012 A ATOM 17 C LIG 1 -5.373 -1.232 0.078 0.00 0.00 +0.007 A ENDBRANCH 1 15 BRANCH 6 18 ATOM 18 C LIG 1 2.919 -2.404 3.730 0.00 0.00 +0.375 C ATOM 19 O LIG 1 4.084 -2.098 3.914 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 2.240 -3.270 4.535 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 1.315 -3.381 4.210 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 2.396 0.270 -0.235 0.00 0.00 -0.324 N ATOM 23 H LIG 1 2.129 0.026 -1.181 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 3.825 0.601 -0.128 0.00 0.00 +0.072 C ATOM 25 C LIG 1 3.995 2.018 -0.688 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 4.679 -0.368 -0.951 0.00 0.00 +0.009 C ATOM 27 C LIG 1 6.224 -0.202 -0.863 0.00 0.00 +0.005 C ATOM 28 C LIG 1 6.322 -1.734 -1.010 0.00 0.00 +0.001 C ATOM 29 C LIG 1 4.910 -1.803 -0.394 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 30 ATOM 30 C LIG 1 -0.741 0.296 -1.110 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -1.340 1.564 -0.551 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -0.587 2.411 0.275 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.148 3.578 0.799 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -2.476 3.923 0.513 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -3.224 3.085 -0.326 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -2.663 1.918 -0.851 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -3.077 5.194 1.061 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -4.417 5.095 1.287 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.528 5.580 2.247 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -2.917 6.248 0.214 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9