REMARK Name = BDB034389 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.442 1.444 -1.623 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.400 1.958 -0.319 0.00 0.00 +0.032 A ATOM 3 C LIG 1 2.216 2.096 0.394 0.00 0.00 +0.073 A ATOM 4 C LIG 1 0.995 1.724 -0.215 0.00 0.00 +0.021 A ATOM 5 C LIG 1 -0.209 1.903 0.531 0.00 0.00 +0.038 A ATOM 6 C LIG 1 -0.094 2.340 1.851 0.00 0.00 +0.043 A ATOM 7 C LIG 1 1.153 2.667 2.349 0.00 0.00 +0.113 A ATOM 8 C LIG 1 1.042 1.186 -1.525 0.00 0.00 +0.012 A ATOM 9 N LIG 1 2.294 2.573 1.644 0.00 0.00 -0.255 NA ATOM 10 C LIG 1 2.246 1.047 -2.218 0.00 0.00 +0.005 A ENDROOT BRANCH 5 11 ATOM 11 N LIG 1 -1.446 1.540 -0.034 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -1.473 1.776 -1.023 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -2.720 1.812 0.627 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -3.118 0.640 1.524 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -4.437 0.937 2.242 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.895 -0.147 3.116 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -4.115 -0.455 3.697 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -5.408 -1.316 2.388 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 C LIG 1 -6.702 -1.046 1.650 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -6.772 -1.028 0.241 0.00 0.00 +0.125 A ATOM 21 C LIG 1 -7.997 -0.765 -0.388 0.00 0.00 +0.049 A ATOM 22 C LIG 1 -9.143 -0.518 0.371 0.00 0.00 +0.042 A ATOM 23 C LIG 1 -9.067 -0.531 1.756 0.00 0.00 +0.124 A ATOM 24 F LIG 1 -10.169 -0.293 2.479 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -7.865 -0.790 2.398 0.00 0.00 +0.046 A BRANCH 20 26 ATOM 26 O LIG 1 -5.598 -1.271 -0.422 0.00 0.00 -0.495 OA ATOM 27 C LIG 1 -5.622 -1.237 -1.843 0.00 0.00 +0.277 C ENDBRANCH 20 26 ENDBRANCH 18 19 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 5 11 BRANCH 1 28 ATOM 28 C LIG 1 4.757 1.297 -2.351 0.00 0.00 +0.070 C BRANCH 28 33 ATOM 29 C LIG 1 7.419 -0.737 -0.523 0.00 0.00 +0.124 A ATOM 30 C LIG 1 7.115 -2.032 -0.958 0.00 0.00 +0.091 A ATOM 31 C LIG 1 6.055 -2.257 -1.836 0.00 0.00 +0.124 A ATOM 32 C LIG 1 5.300 -1.172 -2.287 0.00 0.00 +0.049 A ATOM 33 C LIG 1 5.592 0.134 -1.869 0.00 0.00 -0.036 A ATOM 34 C LIG 1 6.658 0.341 -0.978 0.00 0.00 +0.049 A BRANCH 29 36 ATOM 35 C LIG 1 8.793 0.621 0.867 0.00 0.00 +0.277 C ATOM 36 O LIG 1 8.480 -0.663 0.340 0.00 0.00 -0.495 OA ENDBRANCH 29 36 BRANCH 31 37 ATOM 37 O LIG 1 5.660 -3.471 -2.326 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 6.341 -4.616 -1.826 0.00 0.00 +0.277 C ENDBRANCH 31 37 ENDBRANCH 28 33 ENDBRANCH 1 28 TORSDOF 12