REMARK Name = BDB034364 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.825 -2.209 -1.118 0.00 0.00 +0.038 A ATOM 2 C LIG 1 2.066 -1.522 -1.049 0.00 0.00 +0.021 A ATOM 3 C LIG 1 3.223 -2.243 -1.422 0.00 0.00 +0.073 A ATOM 4 C LIG 1 4.460 -1.613 -1.360 0.00 0.00 +0.032 A ATOM 5 C LIG 1 4.608 -0.280 -0.948 0.00 0.00 -0.041 A ATOM 6 C LIG 1 3.467 0.437 -0.590 0.00 0.00 +0.005 A ATOM 7 N LIG 1 3.190 -3.517 -1.843 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 1.992 -4.130 -1.917 0.00 0.00 +0.113 A ATOM 9 C LIG 1 2.213 -0.174 -0.641 0.00 0.00 +0.012 A ATOM 10 C LIG 1 0.800 -3.525 -1.581 0.00 0.00 +0.043 A ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -0.419 -1.594 -0.814 0.00 0.00 -0.343 N ATOM 12 H LIG 1 -0.284 -0.854 -0.129 0.00 0.00 +0.146 HD BRANCH 11 13 ATOM 13 C LIG 1 -1.084 -1.079 -2.017 0.00 0.00 +0.103 C BRANCH 13 14 ATOM 14 C LIG 1 -2.465 -0.529 -1.655 0.00 0.00 +0.034 C BRANCH 14 15 ATOM 15 C LIG 1 -3.438 -1.645 -1.259 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 N LIG 1 -4.796 -1.156 -1.005 0.00 0.00 -0.312 NA ATOM 17 H LIG 1 -5.057 -0.466 -1.708 0.00 0.00 +0.122 HD BRANCH 16 18 ATOM 18 C LIG 1 -4.930 -0.542 0.316 0.00 0.00 +0.120 C BRANCH 18 20 ATOM 19 C LIG 1 -6.694 1.309 0.293 0.00 0.00 +0.125 A ATOM 20 C LIG 1 -6.342 -0.037 0.523 0.00 0.00 +0.011 A ATOM 21 C LIG 1 -7.334 -0.950 0.921 0.00 0.00 +0.046 A ATOM 22 C LIG 1 -8.642 -0.523 1.108 0.00 0.00 +0.124 A ATOM 23 F LIG 1 -9.577 -1.400 1.492 0.00 0.00 -0.205 F ATOM 24 C LIG 1 -8.992 0.803 0.899 0.00 0.00 +0.042 A ATOM 25 C LIG 1 -8.020 1.720 0.489 0.00 0.00 +0.049 A BRANCH 19 27 ATOM 26 C LIG 1 -6.000 3.498 -0.363 0.00 0.00 +0.277 C ATOM 27 O LIG 1 -5.681 2.132 -0.124 0.00 0.00 -0.495 OA ENDBRANCH 19 27 ENDBRANCH 18 20 ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 28 ATOM 28 C LIG 1 5.977 0.357 -0.887 0.00 0.00 +0.070 C BRANCH 28 29 ATOM 29 C LIG 1 6.468 0.610 0.520 0.00 0.00 -0.043 A ATOM 30 C LIG 1 6.557 1.917 1.023 0.00 0.00 +0.016 A ATOM 31 C LIG 1 7.010 2.161 2.331 0.00 0.00 +0.055 A ATOM 32 C LIG 1 7.362 1.072 3.141 0.00 0.00 +0.012 A ATOM 33 C LIG 1 7.277 -0.231 2.651 0.00 0.00 +0.001 A ATOM 34 C LIG 1 6.834 -0.460 1.348 0.00 0.00 +0.004 A BRANCH 31 35 ATOM 35 C LIG 1 7.076 3.571 2.863 0.00 0.00 +0.417 C ATOM 36 F LIG 1 5.872 4.004 3.330 0.00 0.00 -0.166 F ATOM 37 F LIG 1 7.456 4.477 1.918 0.00 0.00 -0.166 F ATOM 38 F LIG 1 7.954 3.720 3.894 0.00 0.00 -0.166 F ENDBRANCH 31 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 11