REMARK Name = BDB033549 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.218 -0.005 -0.584 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.067 0.136 -0.091 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.479 -1.161 0.203 0.00 0.00 +0.093 A ATOM 4 C LIG 1 2.749 -1.416 0.765 0.00 0.00 -0.015 A ATOM 5 C LIG 1 3.582 -0.297 1.001 0.00 0.00 -0.008 A ATOM 6 C LIG 1 3.155 1.000 0.684 0.00 0.00 +0.011 A ATOM 7 C LIG 1 3.195 -2.814 1.095 0.00 0.00 +0.046 C ATOM 8 N LIG 1 0.504 -2.060 -0.137 0.00 0.00 -0.230 NA ATOM 9 C LIG 1 1.895 1.240 0.132 0.00 0.00 +0.028 A ATOM 10 C LIG 1 -0.505 -1.364 -0.626 0.00 0.00 +0.132 A ENDROOT BRANCH 10 11 ATOM 11 C LIG 1 -1.765 -1.981 -1.191 0.00 0.00 +0.148 C ATOM 12 N LIG 1 -2.908 -2.137 -0.253 0.00 0.00 -0.261 N ATOM 13 C LIG 1 -4.083 -2.745 -0.738 0.00 0.00 +0.224 C ATOM 14 O LIG 1 -5.197 -2.647 -0.236 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -3.953 -3.658 -1.915 0.00 0.00 +0.079 C ATOM 16 C LIG 1 -2.617 -3.932 -2.542 0.00 0.00 +0.004 C ATOM 17 C LIG 1 -3.655 -3.142 -3.302 0.00 0.00 +0.017 C ATOM 18 C LIG 1 -1.425 -3.315 -1.883 0.00 0.00 +0.035 C BRANCH 12 19 ATOM 19 C LIG 1 -2.970 -1.376 0.958 0.00 0.00 +0.040 A ATOM 20 C LIG 1 -1.990 -1.544 1.946 0.00 0.00 +0.064 A ATOM 21 C LIG 1 -2.055 -0.814 3.131 0.00 0.00 +0.160 A ATOM 22 F LIG 1 -1.102 -0.980 4.058 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -3.098 0.073 3.356 0.00 0.00 +0.159 A ATOM 24 F LIG 1 -3.154 0.778 4.494 0.00 0.00 -0.202 F ATOM 25 C LIG 1 -4.096 0.234 2.404 0.00 0.00 +0.043 A ATOM 26 C LIG 1 -4.034 -0.494 1.211 0.00 0.00 +0.026 A ENDBRANCH 12 19 ENDBRANCH 10 11 BRANCH 5 27 ATOM 27 C LIG 1 4.897 -0.451 1.584 0.00 0.00 +0.047 A ATOM 28 C LIG 1 6.058 -0.623 0.866 0.00 0.00 +0.142 A ATOM 29 C LIG 1 6.382 -0.722 -0.569 0.00 0.00 +0.090 C ATOM 30 O LIG 1 7.103 -0.726 1.732 0.00 0.00 -0.359 OA ATOM 31 N LIG 1 6.643 -0.616 3.032 0.00 0.00 -0.083 NA ATOM 32 C LIG 1 5.317 -0.451 2.938 0.00 0.00 +0.088 A ATOM 33 C LIG 1 4.489 -0.298 4.155 0.00 0.00 +0.070 C ENDBRANCH 5 27 BRANCH 1 37 ATOM 34 C LIG 1 -1.687 3.971 -1.609 0.00 0.00 +0.118 C ATOM 35 C LIG 1 -1.098 3.543 -0.258 0.00 0.00 +0.033 C ATOM 36 C LIG 1 -1.424 2.102 0.124 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -1.114 1.079 -0.990 0.00 0.00 +0.089 C ATOM 38 C LIG 1 -0.675 1.732 -2.307 0.00 0.00 +0.027 C ATOM 39 C LIG 1 -1.631 2.864 -2.675 0.00 0.00 +0.033 C BRANCH 34 41 ATOM 40 C LIG 1 -1.239 6.314 -1.467 0.00 0.00 +0.194 C ATOM 41 O LIG 1 -0.953 5.087 -2.127 0.00 0.00 -0.380 OA ENDBRANCH 34 41 ENDBRANCH 1 37 TORSDOF 5