REMARK Name = BDB034592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.550 1.105 -0.526 0.00 0.00 -0.280 N ATOM 2 H LIG 1 0.163 1.696 -1.258 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.285 0.078 -0.127 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -0.068 -0.760 0.741 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.810 1.018 1.332 0.00 0.00 -0.006 A ATOM 6 C LIG 1 2.514 0.665 0.908 0.00 0.00 +0.030 A ATOM 7 C LIG 1 1.840 1.413 -0.060 0.00 0.00 +0.034 A ATOM 8 C LIG 1 2.471 2.531 -0.615 0.00 0.00 +0.023 A ATOM 9 C LIG 1 3.753 2.897 -0.205 0.00 0.00 +0.002 A ATOM 10 C LIG 1 4.418 2.146 0.762 0.00 0.00 +0.007 A BRANCH 5 11 ATOM 11 C LIG 1 4.561 0.196 2.376 0.00 0.00 +0.172 C ATOM 12 F LIG 1 5.756 0.794 2.719 0.00 0.00 -0.234 F ATOM 13 C LIG 1 3.756 0.149 3.683 0.00 0.00 +0.056 C BRANCH 11 14 ATOM 14 C LIG 1 4.879 -1.243 1.896 0.00 0.00 +0.274 C ATOM 15 F LIG 1 5.395 -1.957 2.947 0.00 0.00 -0.233 F BRANCH 14 18 ATOM 16 C LIG 1 7.994 -1.414 2.057 0.00 0.00 +0.151 C ATOM 17 N LIG 1 7.202 -1.338 0.858 0.00 0.00 -0.318 N ATOM 18 C LIG 1 5.836 -1.273 0.749 0.00 0.00 +0.171 A ATOM 19 N LIG 1 5.522 -1.262 -0.533 0.00 0.00 -0.132 NA ATOM 20 N LIG 1 6.685 -1.298 -1.263 0.00 0.00 -0.138 NA ATOM 21 C LIG 1 7.684 -1.345 -0.414 0.00 0.00 +0.224 A ENDBRANCH 14 18 ENDBRANCH 11 14 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 22 ATOM 22 C LIG 1 -1.582 0.056 -0.880 0.00 0.00 +0.129 A ATOM 23 N LIG 1 -1.734 1.023 -1.818 0.00 0.00 -0.227 NA ATOM 24 C LIG 1 -2.888 1.013 -2.506 0.00 0.00 +0.133 A ATOM 25 N LIG 1 -3.865 0.109 -2.290 0.00 0.00 -0.235 NA ATOM 26 C LIG 1 -3.674 -0.841 -1.345 0.00 0.00 +0.059 A ATOM 27 C LIG 1 -2.521 -0.906 -0.598 0.00 0.00 +0.057 A BRANCH 24 28 ATOM 28 C LIG 1 -3.107 2.068 -3.561 0.00 0.00 +0.057 C ATOM 29 C LIG 1 -3.390 1.663 -4.990 0.00 0.00 +0.012 C ATOM 30 C LIG 1 -2.073 2.289 -4.644 0.00 0.00 +0.012 C ENDBRANCH 24 28 BRANCH 26 31 ATOM 31 C LIG 1 -4.798 -1.833 -1.114 0.00 0.00 +0.140 C BRANCH 31 32 ATOM 32 N LIG 1 -5.413 -1.680 0.215 0.00 0.00 -0.291 NA ATOM 33 C LIG 1 -6.593 -2.569 0.342 0.00 0.00 +0.126 C ATOM 34 C LIG 1 -7.380 -1.382 0.960 0.00 0.00 +0.134 C ATOM 35 F LIG 1 -8.654 -1.238 0.518 0.00 0.00 -0.240 F ATOM 36 C LIG 1 -7.371 -1.308 2.478 0.00 0.00 +0.050 C ATOM 37 C LIG 1 -6.323 -0.504 0.240 0.00 0.00 +0.126 C ENDBRANCH 31 32 ENDBRANCH 26 31 ENDBRANCH 3 22 TORSDOF 8