REMARK Name = BDB026121 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.731 -0.202 -0.041 0.00 0.00 +0.038 A ATOM 2 C LIG 1 2.146 -1.443 -0.324 0.00 0.00 +0.134 A ATOM 3 F LIG 1 2.904 -2.545 -0.438 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.770 -1.588 -0.520 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.080 -0.486 -0.444 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.500 0.782 -0.186 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.878 0.913 0.025 0.00 0.00 +0.038 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -1.477 -0.565 -0.591 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.030 -1.337 -1.719 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -2.395 -2.815 -1.383 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.166 -3.375 -2.592 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.161 -2.971 -0.109 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -3.381 -4.388 0.208 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -2.440 -2.273 1.000 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -3.200 -2.343 2.334 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.210 -0.772 0.674 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 C LIG 1 6.049 -0.900 1.239 0.00 0.00 +0.215 A ATOM 18 N LIG 1 4.735 -0.988 0.997 0.00 0.00 -0.214 NA ATOM 19 C LIG 1 4.178 -0.067 0.182 0.00 0.00 +0.079 A ATOM 20 C LIG 1 4.924 0.947 -0.385 0.00 0.00 +0.048 A ATOM 21 C LIG 1 6.261 0.953 -0.079 0.00 0.00 +0.116 A ATOM 22 N LIG 1 6.844 0.043 0.721 0.00 0.00 -0.223 NA BRANCH 17 24 ATOM 23 C LIG 1 6.133 -3.160 1.968 0.00 0.00 +0.128 C ATOM 24 N LIG 1 6.677 -1.824 2.064 0.00 0.00 -0.317 N ATOM 25 H LIG 1 7.667 -1.742 1.857 0.00 0.00 +0.149 HD ENDBRANCH 17 24 ENDBRANCH 1 19 BRANCH 6 26 ATOM 26 N LIG 1 -0.395 1.874 -0.189 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.346 1.584 -0.410 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -0.111 3.209 -0.055 0.00 0.00 +0.250 C ATOM 29 O LIG 1 0.982 3.733 0.105 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -1.328 4.064 -0.166 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -1.516 5.011 -1.259 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -2.639 5.756 -1.299 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -3.667 5.633 -0.236 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -4.691 6.303 -0.261 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -3.393 4.724 0.756 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -4.091 4.653 1.489 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.254 3.959 0.802 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -0.465 5.099 -2.325 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -0.888 5.834 -3.390 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.137 3.880 -2.820 0.00 0.00 -0.166 F ATOM 41 F LIG 1 0.672 5.689 -1.888 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 6 26 TORSDOF 6