REMARK Name = BDB026963 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.974 -1.546 -0.595 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.986 -2.773 0.309 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -2.466 -3.993 -0.200 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.499 -5.137 0.598 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.062 -5.078 1.919 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.600 -3.873 2.445 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.568 -2.726 1.649 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.882 -0.489 -0.257 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.190 0.649 0.109 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.281 1.005 0.294 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.125 -0.293 -0.221 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.824 -0.784 -0.407 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.682 -0.043 -0.106 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.537 -0.856 -0.417 0.00 0.00 +0.044 A ATOM 15 C LIG 1 1.034 -2.054 -0.901 0.00 0.00 +0.095 A ATOM 16 C LIG 1 1.856 1.258 0.410 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.402 -2.002 -0.882 0.00 0.00 -0.360 N ATOM 18 H LIG 1 3.019 -2.748 -1.174 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.149 1.765 0.605 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 9.112 2.067 -0.165 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.744 2.018 0.290 0.00 0.00 -0.274 N ATOM 22 N LIG 1 7.372 2.766 1.343 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.071 2.490 1.475 0.00 0.00 +0.142 A ATOM 24 C LIG 1 5.607 1.560 0.515 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.727 1.278 -0.240 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.321 -0.925 -0.756 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.186 -0.052 -1.272 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.995 -0.604 0.509 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.281 0.215 0.280 0.00 0.00 +0.053 C BRANCH 29 30 ATOM 30 C LIG 1 -5.100 1.565 -0.377 0.00 0.00 -0.011 A ATOM 31 C LIG 1 -5.970 1.965 -1.403 0.00 0.00 +0.129 A ATOM 32 F LIG 1 -6.949 1.143 -1.809 0.00 0.00 -0.205 F ATOM 33 C LIG 1 -5.850 3.205 -2.020 0.00 0.00 +0.077 A ATOM 34 C LIG 1 -4.849 4.067 -1.602 0.00 0.00 +0.126 A ATOM 35 F LIG 1 -4.721 5.265 -2.189 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -3.978 3.711 -0.579 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -4.107 2.465 0.039 0.00 0.00 +0.009 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 8