REMARK Name = BDB010210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.948 -0.233 -0.304 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.789 -0.079 0.434 0.00 0.00 -0.303 N ATOM 3 C LIG 1 0.103 -1.046 0.025 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.571 -1.701 -0.993 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -0.076 -2.741 -1.683 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 1.143 -3.092 -1.252 0.00 0.00 +0.203 A ATOM 7 N LIG 1 1.872 -2.523 -0.273 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.381 -1.459 0.393 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -1.806 -1.171 -1.209 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 1.752 -4.241 -1.958 0.00 0.00 +0.220 A ATOM 11 N LIG 1 1.058 -4.852 -2.934 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.135 -4.619 -3.260 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 1.830 -5.842 -3.398 0.00 0.00 +0.440 A ATOM 14 O LIG 1 1.539 -6.620 -4.292 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 3.012 -5.837 -2.699 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 2.919 -4.762 -1.756 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 8 17 ATOM 17 N LIG 1 2.131 -0.842 1.383 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.999 0.160 1.432 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 3.520 -1.269 1.574 0.00 0.00 +0.072 C ATOM 20 C LIG 1 3.848 -1.108 3.063 0.00 0.00 +0.028 C BRANCH 19 21 ATOM 21 C LIG 1 4.540 -0.471 0.751 0.00 0.00 +0.009 C ATOM 22 C LIG 1 4.643 1.072 0.920 0.00 0.00 +0.005 C ATOM 23 C LIG 1 5.073 1.132 -0.560 0.00 0.00 +0.001 C ATOM 24 C LIG 1 4.303 -0.190 -0.762 0.00 0.00 +0.005 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 8 17 BRANCH 1 25 ATOM 25 N LIG 1 -3.027 0.569 -0.104 0.00 0.00 -0.298 N BRANCH 25 26 ATOM 26 C LIG 1 -4.309 -0.006 0.392 0.00 0.00 +0.076 C ATOM 27 C LIG 1 -4.700 -1.385 -0.168 0.00 0.00 +0.022 C ATOM 28 C LIG 1 -4.143 -2.587 0.596 0.00 0.00 +0.002 C ATOM 29 C LIG 1 -4.327 -2.457 2.102 0.00 0.00 +0.000 C ATOM 30 C LIG 1 -3.732 -1.154 2.618 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -4.364 0.050 1.928 0.00 0.00 +0.022 C ENDBRANCH 25 26 BRANCH 25 32 ATOM 32 C LIG 1 -3.172 1.686 -1.062 0.00 0.00 +0.108 C BRANCH 32 34 ATOM 33 C LIG 1 -3.836 2.439 -3.371 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -3.709 1.252 -2.428 0.00 0.00 +0.016 C ENDBRANCH 32 34 ENDBRANCH 25 32 ENDBRANCH 1 25 BRANCH 2 35 ATOM 35 C LIG 1 -0.603 0.877 1.515 0.00 0.00 +0.160 C BRANCH 35 36 ATOM 36 C LIG 1 0.331 2.027 1.190 0.00 0.00 -0.028 A ATOM 37 C LIG 1 0.650 2.423 -0.117 0.00 0.00 +0.006 A ATOM 38 C LIG 1 1.508 3.502 -0.349 0.00 0.00 +0.013 A ATOM 39 C LIG 1 2.064 4.217 0.721 0.00 0.00 +0.055 A ATOM 40 C LIG 1 1.726 3.842 2.027 0.00 0.00 +0.013 A ATOM 41 C LIG 1 0.872 2.761 2.258 0.00 0.00 +0.006 A BRANCH 39 42 ATOM 42 C LIG 1 2.978 5.391 0.467 0.00 0.00 +0.417 C ATOM 43 F LIG 1 2.293 6.560 0.336 0.00 0.00 -0.166 F ATOM 44 F LIG 1 3.714 5.257 -0.671 0.00 0.00 -0.166 F ATOM 45 F LIG 1 3.878 5.593 1.470 0.00 0.00 -0.166 F ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 11