REMARK Name = BDB014915 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.880 -1.012 -0.431 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -1.983 -1.879 -0.645 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -2.087 -3.167 -1.380 0.00 0.00 +0.149 C ATOM 4 N LIG 1 -3.498 -3.574 -1.515 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -4.383 -3.317 -0.356 0.00 0.00 +0.116 C ATOM 6 C LIG 1 -4.421 -1.828 0.052 0.00 0.00 +0.074 C ATOM 7 C LIG 1 -3.735 -4.576 -2.429 0.00 0.00 +0.300 C ATOM 8 O LIG 1 -2.876 -5.094 -3.133 0.00 0.00 -0.253 OA ATOM 9 N LIG 1 -5.022 -4.986 -2.539 0.00 0.00 -0.313 N ATOM 10 H LIG 1 -5.137 -5.651 -3.295 0.00 0.00 +0.146 HD ATOM 11 H LIG 1 -5.706 -4.244 -2.563 0.00 0.00 +0.146 HD ATOM 12 C LIG 1 -3.042 -1.287 0.012 0.00 0.00 +0.048 A ATOM 13 N LIG 1 -2.564 -0.132 0.548 0.00 0.00 -0.263 N ATOM 14 N LIG 1 -1.251 0.040 0.305 0.00 0.00 -0.155 NA ENDROOT BRANCH 13 15 ATOM 15 C LIG 1 -3.290 0.885 1.296 0.00 0.00 +0.112 C ATOM 16 C LIG 1 -2.648 1.177 2.654 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -3.478 2.196 3.427 0.00 0.00 +0.162 C ATOM 18 O LIG 1 -4.285 3.016 2.579 0.00 0.00 -0.380 OA ATOM 19 C LIG 1 -3.607 3.390 1.383 0.00 0.00 +0.162 C ATOM 20 C LIG 1 -3.460 2.174 0.479 0.00 0.00 +0.055 C ENDBRANCH 13 15 BRANCH 1 21 ATOM 21 N LIG 1 0.352 -1.273 -0.927 0.00 0.00 -0.296 N ATOM 22 H LIG 1 0.477 -2.113 -1.486 0.00 0.00 +0.154 HD BRANCH 21 26 ATOM 23 C LIG 1 4.082 0.766 -0.784 0.00 0.00 -0.004 A ATOM 24 C LIG 1 2.969 1.336 -0.137 0.00 0.00 +0.027 A ATOM 25 C LIG 1 1.725 0.667 -0.189 0.00 0.00 +0.036 A ATOM 26 C LIG 1 1.568 -0.554 -0.853 0.00 0.00 +0.069 A ATOM 27 C LIG 1 2.702 -1.095 -1.473 0.00 0.00 +0.145 A ATOM 28 F LIG 1 2.596 -2.268 -2.118 0.00 0.00 -0.204 F ATOM 29 C LIG 1 3.939 -0.458 -1.447 0.00 0.00 +0.049 A BRANCH 23 34 ATOM 30 C LIG 1 8.914 1.600 -0.095 0.00 0.00 +0.172 C ATOM 31 N LIG 1 7.526 1.740 -0.462 0.00 0.00 -0.274 N ATOM 32 N LIG 1 7.110 2.872 -1.058 0.00 0.00 -0.179 NA ATOM 33 C LIG 1 5.807 2.661 -1.265 0.00 0.00 +0.142 A ATOM 34 C LIG 1 5.383 1.403 -0.783 0.00 0.00 +0.020 A ATOM 35 C LIG 1 6.527 0.829 -0.272 0.00 0.00 +0.116 A ENDBRANCH 23 34 BRANCH 24 36 ATOM 36 C LIG 1 3.059 2.649 0.604 0.00 0.00 +0.372 C ATOM 37 F LIG 1 3.119 3.716 -0.242 0.00 0.00 -0.204 F ATOM 38 F LIG 1 1.988 2.892 1.415 0.00 0.00 -0.204 F ENDBRANCH 24 36 ENDBRANCH 21 26 ENDBRANCH 1 21 TORSDOF 5