REMARK Name = BDB041907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.120 -2.073 0.621 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.986 -1.893 1.422 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.024 -0.927 1.213 0.00 0.00 +0.022 A ATOM 4 C LIG 1 0.705 -0.875 2.410 0.00 0.00 +0.141 A ATOM 5 N LIG 1 0.281 -1.785 3.289 0.00 0.00 -0.173 NA ATOM 6 C LIG 1 0.031 -0.086 -0.005 0.00 0.00 +0.083 C ATOM 7 C LIG 1 -1.369 0.037 -0.623 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -0.563 -2.575 2.565 0.00 0.00 -0.218 N ATOM 9 C LIG 1 -2.297 -1.197 -0.471 0.00 0.00 +0.242 C ATOM 10 O LIG 1 -3.279 -1.301 -1.217 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.086 -0.740 -0.889 0.00 0.00 -0.037 A ATOM 12 C LIG 1 2.354 -0.138 -0.992 0.00 0.00 +0.017 A ATOM 13 C LIG 1 3.363 -0.719 -1.770 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.142 -1.934 -2.417 0.00 0.00 +0.013 A ATOM 15 C LIG 1 1.887 -2.532 -2.341 0.00 0.00 +0.001 A ATOM 16 C LIG 1 0.865 -1.936 -1.594 0.00 0.00 +0.004 A BRANCH 13 17 ATOM 17 C LIG 1 4.703 -0.092 -1.856 0.00 0.00 +0.248 C ATOM 18 N LIG 1 4.779 1.242 -2.218 0.00 0.00 -0.279 N ATOM 19 C LIG 1 6.088 1.895 -2.309 0.00 0.00 +0.182 C ATOM 20 C LIG 1 5.794 3.246 -2.979 0.00 0.00 +0.076 C ATOM 21 C LIG 1 4.591 2.935 -3.847 0.00 0.00 +0.186 C ATOM 22 F LIG 1 5.025 2.292 -4.966 0.00 0.00 -0.244 F ATOM 23 C LIG 1 3.776 1.965 -3.000 0.00 0.00 +0.146 C ATOM 24 O LIG 1 5.689 -0.774 -1.594 0.00 0.00 -0.270 OA BRANCH 19 25 ATOM 25 C LIG 1 6.716 2.110 -0.989 0.00 0.00 +0.085 C ATOM 26 N LIG 1 7.159 2.347 0.060 0.00 0.00 -0.195 NA ENDBRANCH 19 25 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 8 27 ATOM 27 C LIG 1 -0.743 -3.928 2.961 0.00 0.00 +0.067 A ATOM 28 C LIG 1 -0.642 -4.264 4.317 0.00 0.00 +0.028 A ATOM 29 C LIG 1 -0.791 -5.593 4.720 0.00 0.00 +0.002 A ATOM 30 C LIG 1 -1.008 -6.591 3.771 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -1.062 -6.267 2.416 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -0.920 -4.938 2.006 0.00 0.00 +0.028 A ENDBRANCH 8 27 BRANCH 7 33 ATOM 33 N LIG 1 -2.110 1.163 -0.035 0.00 0.00 -0.297 N ATOM 34 H LIG 1 -2.812 0.991 0.683 0.00 0.00 +0.150 HD ATOM 35 C LIG 1 -1.999 2.458 -0.513 0.00 0.00 +0.282 C ATOM 36 O LIG 1 -1.222 2.764 -1.414 0.00 0.00 -0.267 OA BRANCH 35 37 ATOM 37 C LIG 1 -2.930 3.447 0.155 0.00 0.00 +0.216 A ATOM 38 N LIG 1 -2.996 4.696 -0.349 0.00 0.00 -0.219 NA ATOM 39 C LIG 1 -3.872 5.544 0.253 0.00 0.00 +0.147 A ATOM 40 C LIG 1 -4.641 5.147 1.343 0.00 0.00 +0.052 A ATOM 41 C LIG 1 -4.499 3.845 1.767 0.00 0.00 +0.115 A ATOM 42 N LIG 1 -3.667 2.965 1.185 0.00 0.00 -0.232 NA BRANCH 39 43 ATOM 43 C LIG 1 -4.103 6.933 -0.333 0.00 0.00 +0.434 C ATOM 44 F LIG 1 -3.104 7.387 -1.146 0.00 0.00 -0.164 F ATOM 45 F LIG 1 -5.251 6.980 -1.074 0.00 0.00 -0.164 F ATOM 46 F LIG 1 -4.255 7.890 0.633 0.00 0.00 -0.164 F ENDBRANCH 39 43 ENDBRANCH 35 37 ENDBRANCH 7 33 BRANCH 1 48 ATOM 47 C LIG 1 -4.265 -2.077 1.855 0.00 0.00 +0.025 C ATOM 48 C LIG 1 -3.292 -2.874 0.992 0.00 0.00 +0.112 C ENDBRANCH 1 48 TORSDOF 8