REMARK Name = BDB025666 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.530 -1.291 0.053 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.906 -0.116 0.532 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.401 -0.154 1.022 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.128 -1.360 1.047 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.486 -2.515 0.571 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.129 -3.694 0.564 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.820 -2.491 0.083 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -4.690 -3.035 -2.740 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.436 -1.560 -2.387 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.409 -0.994 -1.434 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.789 -0.994 -1.896 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.277 -1.560 -0.077 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.837 -1.970 0.331 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.852 -1.189 -0.432 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.958 -1.356 -1.904 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.511 -1.395 1.560 0.00 0.00 -0.015 A ATOM 17 C LIG 1 3.467 -0.457 1.129 0.00 0.00 +0.013 A ATOM 18 C LIG 1 4.788 -0.471 1.610 0.00 0.00 -0.033 A ATOM 19 C LIG 1 5.158 -1.444 2.544 0.00 0.00 +0.005 A ATOM 20 C LIG 1 4.228 -2.383 2.985 0.00 0.00 +0.001 A ATOM 21 C LIG 1 2.919 -2.357 2.498 0.00 0.00 +0.008 A BRANCH 18 22 ATOM 22 C LIG 1 5.787 0.559 1.125 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 6.035 0.494 -0.323 0.00 0.00 -0.294 NA ATOM 24 C LIG 1 6.650 -0.796 -0.714 0.00 0.00 +0.113 C ATOM 25 C LIG 1 7.434 -0.679 -2.030 0.00 0.00 +0.175 C ATOM 26 O LIG 1 8.551 0.216 -1.929 0.00 0.00 -0.377 OA ATOM 27 C LIG 1 8.342 1.270 -0.979 0.00 0.00 +0.175 C ATOM 28 C LIG 1 6.860 1.628 -0.788 0.00 0.00 +0.113 C ENDBRANCH 22 23 ENDBRANCH 18 22 ENDBRANCH 4 16 BRANCH 2 29 ATOM 29 N LIG 1 -1.708 1.043 0.481 0.00 0.00 -0.280 N ATOM 30 H LIG 1 -2.635 0.835 0.106 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -1.384 2.323 0.842 0.00 0.00 +0.250 C ATOM 32 O LIG 1 -0.306 2.739 1.246 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -2.517 3.271 0.637 0.00 0.00 +0.065 A ATOM 34 C LIG 1 -3.767 3.227 1.390 0.00 0.00 +0.073 A ATOM 35 C LIG 1 -4.729 4.132 1.118 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -4.526 5.164 0.071 0.00 0.00 +0.249 A ATOM 37 O LIG 1 -5.399 5.980 -0.190 0.00 0.00 -0.268 OA ATOM 38 N LIG 1 -3.310 5.137 -0.563 0.00 0.00 -0.328 N ATOM 39 H LIG 1 -3.163 5.852 -1.268 0.00 0.00 +0.168 HD ATOM 40 C LIG 1 -2.324 4.222 -0.291 0.00 0.00 +0.099 A BRANCH 34 41 ATOM 41 C LIG 1 -3.928 2.207 2.474 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -2.882 2.189 3.335 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.061 0.954 1.971 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -5.038 2.430 3.227 0.00 0.00 -0.166 F ENDBRANCH 34 41 ENDBRANCH 31 33 ENDBRANCH 2 29 TORSDOF 7