REMARK Name = BDB035357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.054 -1.102 -0.018 0.00 0.00 +0.241 C ATOM 2 N LIG 1 -0.177 -0.061 -0.309 0.00 0.00 -0.268 N ATOM 3 C LIG 1 1.204 -0.116 -0.241 0.00 0.00 +0.056 A ATOM 4 C LIG 1 2.032 -1.250 0.052 0.00 0.00 +0.034 A ATOM 5 C LIG 1 3.374 -1.137 0.074 0.00 0.00 +0.023 A ATOM 6 C LIG 1 4.012 0.183 -0.258 0.00 0.00 +0.255 A ATOM 7 N LIG 1 3.141 1.248 -0.520 0.00 0.00 -0.302 N ATOM 8 O LIG 1 5.233 0.302 -0.293 0.00 0.00 -0.267 OA ATOM 9 C LIG 1 1.772 1.065 -0.518 0.00 0.00 +0.045 A ATOM 10 C LIG 1 0.750 2.105 -0.823 0.00 0.00 +0.075 C ATOM 11 C LIG 1 -0.555 1.336 -0.595 0.00 0.00 +0.120 C ATOM 12 O LIG 1 -0.658 -2.196 0.408 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 -2.569 -0.995 -0.410 0.00 0.00 +0.165 C BRANCH 13 15 ATOM 14 C LIG 1 -3.498 0.741 1.083 0.00 0.00 +0.230 C ATOM 15 N LIG 1 -3.185 0.315 -0.199 0.00 0.00 -0.302 N ATOM 16 H LIG 1 -3.865 0.659 -0.874 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 -3.037 0.226 2.094 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 -4.418 1.988 1.081 0.00 0.00 +0.137 C ATOM 19 C LIG 1 -5.115 2.136 2.430 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 -5.978 3.130 -0.411 0.00 0.00 +0.101 C ATOM 21 N LIG 1 -5.376 1.852 -0.049 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 -6.117 1.206 0.234 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 13 15 BRANCH 13 23 ATOM 23 C LIG 1 -2.860 -1.563 -1.849 0.00 0.00 -0.011 C ATOM 24 C LIG 1 -2.245 -2.969 -2.025 0.00 0.00 +0.013 C ATOM 25 C LIG 1 -2.315 -0.661 -2.970 0.00 0.00 +0.013 C ATOM 26 C LIG 1 -4.387 -1.716 -2.049 0.00 0.00 +0.013 C ENDBRANCH 13 23 ENDBRANCH 1 13 BRANCH 7 27 ATOM 27 C LIG 1 3.748 2.531 -0.897 0.00 0.00 +0.238 C BRANCH 27 28 ATOM 28 C LIG 1 4.073 2.667 -2.382 0.00 0.00 +0.407 C ATOM 29 F LIG 1 4.871 1.687 -2.847 0.00 0.00 -0.169 F ATOM 30 F LIG 1 2.940 2.663 -3.128 0.00 0.00 -0.169 F ATOM 31 F LIG 1 4.692 3.848 -2.620 0.00 0.00 -0.169 F ENDBRANCH 27 28 ENDBRANCH 7 27 BRANCH 5 32 ATOM 32 C LIG 1 4.293 -2.291 0.374 0.00 0.00 +0.078 C BRANCH 32 33 ATOM 33 C LIG 1 4.920 -2.233 1.748 0.00 0.00 -0.008 A ATOM 34 C LIG 1 6.313 -2.256 1.894 0.00 0.00 +0.130 A ATOM 35 F LIG 1 7.099 -2.342 0.811 0.00 0.00 -0.205 F ATOM 36 C LIG 1 6.914 -2.208 3.146 0.00 0.00 +0.077 A ATOM 37 C LIG 1 6.111 -2.145 4.275 0.00 0.00 +0.126 A ATOM 38 F LIG 1 6.678 -2.099 5.487 0.00 0.00 -0.205 F ATOM 39 C LIG 1 4.724 -2.136 4.168 0.00 0.00 +0.039 A ATOM 40 C LIG 1 4.126 -2.185 2.907 0.00 0.00 +0.009 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9