REMARK Name = BDB034189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.502 0.582 -3.245 0.00 0.00 -0.487 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.655 0.373 -2.543 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.700 -0.707 -1.658 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -1.853 -0.887 -0.917 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -2.166 -1.905 0.125 0.00 0.00 +0.144 C ATOM 6 N LIG 1 -3.480 -1.485 0.594 0.00 0.00 -0.282 N ATOM 7 C LIG 1 -4.003 -0.457 -0.175 0.00 0.00 +0.248 C ATOM 8 O LIG 1 -5.117 0.030 -0.134 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -2.943 -0.037 -1.097 0.00 0.00 +0.042 A ATOM 10 C LIG 1 -2.940 1.004 -2.008 0.00 0.00 +0.017 A ATOM 11 C LIG 1 -1.771 1.208 -2.743 0.00 0.00 +0.046 A BRANCH 6 12 ATOM 12 C LIG 1 -4.247 -2.302 1.526 0.00 0.00 +0.163 C ATOM 13 C LIG 1 -5.124 -3.321 0.782 0.00 0.00 +0.240 C ATOM 14 O LIG 1 -4.819 -3.821 -0.300 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -6.243 -3.756 1.454 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -6.799 -4.454 0.979 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -6.639 -3.437 2.729 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -7.593 -4.005 3.255 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -5.794 -2.428 3.471 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -5.088 -1.487 2.508 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 2.649 1.272 -2.223 0.00 0.00 +0.097 C ATOM 22 C LIG 1 1.239 1.715 -2.734 0.00 0.00 +0.190 C ATOM 23 C LIG 1 1.391 2.727 -3.881 0.00 0.00 +0.046 C ATOM 24 C LIG 1 2.233 2.174 -5.029 0.00 0.00 +0.004 C ATOM 25 C LIG 1 3.594 1.688 -4.544 0.00 0.00 +0.002 C ATOM 26 C LIG 1 3.470 0.689 -3.394 0.00 0.00 +0.022 C BRANCH 21 29 ATOM 27 C LIG 1 3.022 -0.041 0.888 0.00 0.00 +0.048 C ATOM 28 C LIG 1 2.011 0.857 0.113 0.00 0.00 +0.094 C ATOM 29 N LIG 1 2.567 0.270 -1.139 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 3.861 0.117 -0.414 0.00 0.00 +0.094 C BRANCH 27 32 ATOM 31 C LIG 1 2.707 0.496 3.448 0.00 0.00 +0.058 A ATOM 32 C LIG 1 3.549 0.475 2.302 0.00 0.00 -0.024 A ATOM 33 C LIG 1 4.877 0.919 2.494 0.00 0.00 +0.008 A ATOM 34 C LIG 1 5.335 1.373 3.733 0.00 0.00 +0.039 A ATOM 35 C LIG 1 4.474 1.389 4.818 0.00 0.00 +0.125 A ATOM 36 F LIG 1 4.913 1.825 6.005 0.00 0.00 -0.205 F ATOM 37 C LIG 1 3.166 0.953 4.691 0.00 0.00 +0.057 A BRANCH 31 39 ATOM 38 N LIG 1 0.259 -0.356 3.267 0.00 0.00 -0.191 NA ATOM 39 C LIG 1 1.351 0.029 3.354 0.00 0.00 +0.100 C ENDBRANCH 31 39 ENDBRANCH 27 32 ENDBRANCH 21 29 ENDBRANCH 1 22 TORSDOF 6