REMARK Name = BDB025911 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.448 1.245 0.073 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.153 -0.134 -0.061 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.154 -0.603 0.109 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.202 0.280 0.421 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.895 1.643 0.538 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.851 2.535 0.838 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.405 2.123 0.373 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.225 4.223 1.942 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.209 3.154 1.448 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.964 3.709 0.297 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.405 3.502 0.468 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.503 3.187 -1.017 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.729 4.250 -2.096 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.009 2.768 -1.027 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.789 1.667 -0.071 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.508 1.786 1.219 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.585 -0.225 0.582 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.714 0.573 -0.021 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.962 -0.286 -0.238 0.00 0.00 +0.116 C ATOM 20 N LIG 1 5.272 -1.085 0.944 0.00 0.00 -0.263 N ATOM 21 C LIG 1 6.571 -1.399 1.310 0.00 0.00 +0.404 C ATOM 22 O LIG 1 6.848 -2.237 2.160 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 4.219 -1.940 1.467 0.00 0.00 +0.138 C ATOM 24 C LIG 1 2.850 -1.362 1.253 0.00 0.00 -0.004 C BRANCH 21 25 ATOM 25 O LIG 1 7.491 -0.677 0.621 0.00 0.00 -0.445 OA BRANCH 25 26 ATOM 26 C LIG 1 8.912 -0.852 0.855 0.00 0.00 +0.107 C ATOM 27 C LIG 1 9.366 -2.272 0.501 0.00 0.00 +0.055 C ATOM 28 C LIG 1 9.293 -0.466 2.288 0.00 0.00 +0.055 C ATOM 29 C LIG 1 9.587 0.133 -0.114 0.00 0.00 +0.055 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.248 -0.957 -0.394 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.100 -0.418 -0.532 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.267 -2.315 -0.590 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.336 -3.103 -0.508 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.621 -2.811 -0.963 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.929 -3.302 -2.295 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.177 -3.729 -2.560 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.236 -3.720 -1.516 0.00 0.00 +0.252 A ATOM 38 O LIG 1 -7.360 -4.117 -1.807 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.851 -3.243 -0.265 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -6.823 -3.228 0.819 0.00 0.00 +0.152 C ATOM 41 C LIG 1 -4.563 -2.805 -0.006 0.00 0.00 +0.102 A BRANCH 35 42 ATOM 42 C LIG 1 -2.849 -3.289 -3.335 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.875 -4.194 -3.087 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.337 -3.582 -4.572 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.265 -2.069 -3.443 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7