REMARK Name = BDB025981 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.076 -0.934 0.264 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.360 0.285 0.229 0.00 0.00 +0.057 A ATOM 3 C LIG 1 1.035 0.270 0.035 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.764 -0.921 -0.131 0.00 0.00 +0.067 A ATOM 5 C LIG 1 1.024 -2.114 -0.074 0.00 0.00 +0.146 A ATOM 6 F LIG 1 1.643 -3.303 -0.173 0.00 0.00 -0.203 F ATOM 7 C LIG 1 -0.356 -2.125 0.111 0.00 0.00 +0.065 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.702 -2.780 -0.999 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.736 -1.328 -0.503 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.302 -1.108 0.850 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.656 -1.613 1.022 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.390 -1.408 1.980 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.238 -2.889 2.356 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.986 -0.760 1.790 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.453 -1.068 0.454 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.329 -0.678 -0.662 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 N LIG 1 3.161 -0.945 -0.309 0.00 0.00 -0.325 N ATOM 18 C LIG 1 3.932 0.292 -0.040 0.00 0.00 +0.124 C ATOM 19 C LIG 1 5.450 0.006 -0.010 0.00 0.00 +0.127 C ATOM 20 N LIG 1 5.888 -0.678 -1.240 0.00 0.00 -0.297 N ATOM 21 C LIG 1 5.109 -1.888 -1.563 0.00 0.00 +0.127 C ATOM 22 C LIG 1 3.592 -1.594 -1.576 0.00 0.00 +0.124 C BRANCH 20 23 ATOM 23 C LIG 1 7.270 -0.869 -1.312 0.00 0.00 +0.218 A ATOM 24 N LIG 1 8.079 -0.049 -0.615 0.00 0.00 -0.223 NA ATOM 25 C LIG 1 9.408 -0.229 -0.725 0.00 0.00 +0.116 A ATOM 26 C LIG 1 9.979 -1.198 -1.506 0.00 0.00 +0.039 A ATOM 27 C LIG 1 9.089 -1.988 -2.184 0.00 0.00 +0.116 A ATOM 28 N LIG 1 7.753 -1.843 -2.104 0.00 0.00 -0.223 NA ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 29 ATOM 29 N LIG 1 -1.084 1.490 0.384 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.082 1.359 0.467 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -0.600 2.775 0.458 0.00 0.00 +0.250 C ATOM 32 O LIG 1 0.562 3.155 0.445 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -1.694 3.774 0.620 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -2.534 4.230 -0.481 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -3.498 5.139 -0.237 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -3.706 5.673 1.133 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -4.587 6.489 1.367 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -2.856 5.191 2.096 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -2.985 5.571 3.028 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -1.867 4.270 1.855 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -2.277 3.688 -1.853 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.555 2.361 -1.918 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -0.994 3.854 -2.249 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.055 4.284 -2.795 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 6