REMARK Name = BDB010187 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.772 -1.756 0.309 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.834 -1.073 -0.443 0.00 0.00 -0.303 N ATOM 3 C LIG 1 -0.401 -1.623 -0.174 0.00 0.00 +0.130 A ATOM 4 C LIG 1 -0.123 -2.624 0.744 0.00 0.00 +0.185 A ATOM 5 N LIG 1 -1.045 -3.447 1.264 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 -2.263 -3.213 0.776 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.638 -2.262 -0.114 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 -1.710 -1.413 -0.600 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.204 -2.675 1.051 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -3.363 -4.080 1.256 0.00 0.00 +0.220 A ATOM 11 N LIG 1 -4.600 -3.890 0.768 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.883 -3.209 0.084 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 -5.395 -4.794 1.355 0.00 0.00 +0.440 A ATOM 14 O LIG 1 -6.592 -4.928 1.158 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 -4.635 -5.545 2.217 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 -3.297 -5.040 2.120 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 17 ATOM 17 N LIG 1 3.103 -1.460 0.228 0.00 0.00 -0.296 N ATOM 18 C LIG 1 3.774 -2.312 -0.786 0.00 0.00 +0.133 C BRANCH 17 20 ATOM 19 C LIG 1 3.161 -0.669 2.635 0.00 0.00 +0.035 C ATOM 20 C LIG 1 3.839 -1.515 1.544 0.00 0.00 +0.121 C BRANCH 20 21 ATOM 21 C LIG 1 5.282 -1.014 1.390 0.00 0.00 +0.061 A ATOM 22 N LIG 1 6.276 -1.868 1.750 0.00 0.00 -0.258 NA ATOM 23 C LIG 1 7.550 -1.437 1.618 0.00 0.00 +0.111 A ATOM 24 C LIG 1 7.894 -0.186 1.135 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.872 0.677 0.763 0.00 0.00 +0.003 A ATOM 26 C LIG 1 5.549 0.263 0.889 0.00 0.00 +0.025 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 8 27 ATOM 27 N LIG 1 -2.074 -0.406 -1.484 0.00 0.00 -0.324 N ATOM 28 H LIG 1 -1.514 0.430 -1.375 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 -3.499 -0.112 -1.670 0.00 0.00 +0.072 C ATOM 30 C LIG 1 -3.640 0.609 -3.013 0.00 0.00 +0.028 C BRANCH 29 31 ATOM 31 C LIG 1 -4.054 0.704 -0.487 0.00 0.00 +0.009 C ATOM 32 C LIG 1 -3.599 2.172 -0.271 0.00 0.00 +0.005 C ATOM 33 C LIG 1 -4.955 2.641 -0.826 0.00 0.00 +0.001 C ATOM 34 C LIG 1 -5.510 1.232 -0.559 0.00 0.00 +0.005 C ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 8 27 BRANCH 2 35 ATOM 35 C LIG 1 1.136 -0.019 -1.401 0.00 0.00 +0.160 C BRANCH 35 36 ATOM 36 C LIG 1 0.755 1.372 -0.938 0.00 0.00 -0.025 A ATOM 37 C LIG 1 0.471 2.348 -1.907 0.00 0.00 +0.044 A ATOM 38 C LIG 1 0.137 3.647 -1.529 0.00 0.00 +0.135 A ATOM 39 F LIG 1 -0.142 4.542 -2.485 0.00 0.00 -0.205 F ATOM 40 C LIG 1 0.085 4.020 -0.190 0.00 0.00 +0.090 A ATOM 41 C LIG 1 0.387 3.059 0.783 0.00 0.00 +0.015 A ATOM 42 C LIG 1 0.725 1.752 0.412 0.00 0.00 +0.006 A BRANCH 40 43 ATOM 43 C LIG 1 -0.288 5.428 0.165 0.00 0.00 +0.420 C ATOM 44 F LIG 1 -0.316 5.648 1.510 0.00 0.00 -0.166 F ATOM 45 F LIG 1 0.578 6.349 -0.339 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -1.525 5.776 -0.287 0.00 0.00 -0.166 F ENDBRANCH 40 43 ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 10