REMARK Name = BDB034556 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.116 -1.472 -0.718 0.00 0.00 +0.032 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -3.527 -1.028 2.729 0.00 0.00 +0.137 C ATOM 3 C LIG 1 -4.691 -1.447 1.821 0.00 0.00 +0.138 C ATOM 4 N LIG 1 -4.269 -1.067 0.459 0.00 0.00 -0.308 N ATOM 5 C LIG 1 -2.830 -0.765 0.448 0.00 0.00 +0.078 C ATOM 6 C LIG 1 -2.333 -1.254 1.819 0.00 0.00 +0.055 C BRANCH 4 7 ATOM 7 C LIG 1 -5.222 -0.651 -0.460 0.00 0.00 +0.143 A ATOM 8 N LIG 1 -6.438 -1.129 -0.350 0.00 0.00 -0.156 NA ATOM 9 N LIG 1 -7.382 -0.734 -1.247 0.00 0.00 -0.241 N ATOM 10 H LIG 1 -8.306 -1.137 -1.133 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 -7.192 0.137 -2.287 0.00 0.00 +0.277 A ATOM 12 O LIG 1 -8.096 0.438 -3.057 0.00 0.00 -0.266 OA ATOM 13 C LIG 1 -5.839 0.688 -2.412 0.00 0.00 +0.124 A ATOM 14 C LIG 1 -4.892 0.317 -1.542 0.00 0.00 +0.063 A BRANCH 13 15 ATOM 15 C LIG 1 -5.648 1.645 -3.519 0.00 0.00 +0.423 C ATOM 16 F LIG 1 -5.901 1.110 -4.739 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -6.410 2.761 -3.392 0.00 0.00 -0.166 F ATOM 18 F LIG 1 -4.356 2.084 -3.572 0.00 0.00 -0.166 F ENDBRANCH 13 15 ENDBRANCH 4 7 BRANCH 2 20 ATOM 19 C LIG 1 -2.855 0.732 4.185 0.00 0.00 +0.194 C ATOM 20 O LIG 1 -3.658 0.357 3.073 0.00 0.00 -0.378 OA ENDBRANCH 2 20 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -0.700 -0.942 -0.976 0.00 0.00 +0.098 C BRANCH 21 22 ATOM 22 C LIG 1 0.378 -1.562 -0.099 0.00 0.00 +0.216 C ATOM 23 N LIG 1 1.639 -0.991 -0.166 0.00 0.00 -0.298 N ATOM 24 C LIG 1 2.016 0.111 -1.061 0.00 0.00 +0.126 C ATOM 25 C LIG 1 3.533 0.205 -1.309 0.00 0.00 +0.127 C ATOM 26 N LIG 1 4.263 0.271 -0.045 0.00 0.00 -0.297 N ATOM 27 C LIG 1 3.740 -0.470 1.108 0.00 0.00 +0.127 C ATOM 28 C LIG 1 2.708 -1.531 0.684 0.00 0.00 +0.126 C ATOM 29 O LIG 1 0.142 -2.530 0.623 0.00 0.00 -0.276 OA BRANCH 26 30 ATOM 30 C LIG 1 5.616 0.533 -0.097 0.00 0.00 +0.218 A ATOM 31 N LIG 1 6.167 0.880 -1.274 0.00 0.00 -0.222 NA ATOM 32 C LIG 1 7.490 1.143 -1.303 0.00 0.00 +0.128 A ATOM 33 C LIG 1 8.303 1.073 -0.201 0.00 0.00 +0.091 A ATOM 34 C LIG 1 7.661 0.726 0.960 0.00 0.00 +0.128 A ATOM 35 N LIG 1 6.341 0.455 1.032 0.00 0.00 -0.222 NA BRANCH 33 36 ATOM 36 C LIG 1 9.752 1.382 -0.245 0.00 0.00 +0.420 C ATOM 37 F LIG 1 10.495 0.538 0.524 0.00 0.00 -0.166 F ATOM 38 F LIG 1 10.281 1.307 -1.497 0.00 0.00 -0.166 F ATOM 39 F LIG 1 10.032 2.638 0.203 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 26 30 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 8