REMARK Name = BDB010943 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.371 -2.205 -1.143 0.00 0.00 +0.248 C ATOM 2 N LIG 1 -0.648 -1.900 -0.259 0.00 0.00 -0.281 N ATOM 3 H LIG 1 -0.381 -1.456 0.610 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 0.257 -2.582 -2.302 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 9 ATOM 5 C LIG 1 4.025 -1.243 -0.964 0.00 0.00 -0.032 A ATOM 6 C LIG 1 4.340 -1.606 0.354 0.00 0.00 +0.017 A ATOM 7 C LIG 1 3.370 -2.168 1.202 0.00 0.00 +0.056 A ATOM 8 C LIG 1 2.070 -2.373 0.711 0.00 0.00 +0.025 A ATOM 9 C LIG 1 1.742 -1.999 -0.599 0.00 0.00 +0.038 A ATOM 10 C LIG 1 2.719 -1.449 -1.433 0.00 0.00 +0.018 A BRANCH 7 11 ATOM 11 C LIG 1 3.728 -2.586 2.608 0.00 0.00 +0.417 C ATOM 12 F LIG 1 4.117 -3.887 2.680 0.00 0.00 -0.166 F ATOM 13 F LIG 1 2.685 -2.455 3.475 0.00 0.00 -0.166 F ATOM 14 F LIG 1 4.747 -1.856 3.141 0.00 0.00 -0.166 F ENDBRANCH 7 11 BRANCH 5 15 ATOM 15 C LIG 1 5.072 -0.637 -1.876 0.00 0.00 +0.119 C BRANCH 15 19 ATOM 16 C LIG 1 4.742 4.074 -0.360 0.00 0.00 +0.009 C ATOM 17 C LIG 1 4.546 3.117 -1.535 0.00 0.00 +0.000 C ATOM 18 C LIG 1 4.924 1.680 -1.136 0.00 0.00 +0.088 C ATOM 19 N LIG 1 4.756 0.748 -2.264 0.00 0.00 -0.298 NA ATOM 20 C LIG 1 5.597 1.153 -3.403 0.00 0.00 +0.085 C ATOM 21 C LIG 1 5.247 2.562 -3.879 0.00 0.00 +0.016 C ATOM 22 C LIG 1 5.365 3.575 -2.746 0.00 0.00 +0.006 C ENDBRANCH 15 19 ENDBRANCH 5 15 ENDBRANCH 1 9 BRANCH 2 23 ATOM 23 C LIG 1 -2.035 -2.056 -0.471 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -2.895 -1.553 0.520 0.00 0.00 +0.027 A ATOM 25 C LIG 1 -4.293 -1.660 0.406 0.00 0.00 -0.035 A ATOM 26 C LIG 1 -4.812 -2.308 -0.729 0.00 0.00 +0.004 A ATOM 27 C LIG 1 -3.966 -2.814 -1.714 0.00 0.00 +0.002 A ATOM 28 C LIG 1 -2.583 -2.687 -1.586 0.00 0.00 +0.023 A BRANCH 25 29 ATOM 29 C LIG 1 -5.282 -1.101 1.431 0.00 0.00 +0.090 C BRANCH 29 30 ATOM 30 C LIG 1 -6.136 0.024 0.906 0.00 0.00 +0.141 A ATOM 31 N LIG 1 -5.756 1.074 0.103 0.00 0.00 -0.320 N ATOM 32 C LIG 1 -4.463 1.384 -0.446 0.00 0.00 +0.151 C ATOM 33 C LIG 1 -6.880 1.815 -0.108 0.00 0.00 +0.224 A ATOM 34 N LIG 1 -7.893 1.271 0.519 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -7.430 0.146 1.150 0.00 0.00 -0.134 NA ENDBRANCH 29 30 BRANCH 29 36 ATOM 36 C LIG 1 -4.652 -0.812 2.804 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -3.964 0.548 3.147 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -4.484 0.360 4.588 0.00 0.00 +0.001 C ATOM 39 C LIG 1 -5.619 -0.494 3.987 0.00 0.00 +0.004 C ENDBRANCH 29 36 ENDBRANCH 25 29 ENDBRANCH 2 23 TORSDOF 8