REMARK Name = BDB026132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.677 -0.412 -0.653 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.877 0.672 -0.209 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.508 0.527 -0.067 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.149 -0.686 -0.376 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.342 -1.741 -0.824 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.889 -2.925 -1.145 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.042 -1.615 -0.960 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.105 -2.362 1.763 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.391 -2.033 0.448 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.239 -2.286 -0.753 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.491 -1.527 -0.747 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.405 -2.029 -1.961 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.149 -2.294 -3.276 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.738 -0.623 -2.000 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.073 -0.226 -0.738 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.793 -0.601 0.503 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.611 -0.829 -0.229 0.00 0.00 -0.015 A ATOM 18 C LIG 1 3.491 0.148 -0.711 0.00 0.00 +0.010 A ATOM 19 C LIG 1 4.881 0.016 -0.564 0.00 0.00 +0.024 A ATOM 20 C LIG 1 5.463 -1.094 0.063 0.00 0.00 +0.030 A ATOM 21 C LIG 1 4.572 -2.064 0.546 0.00 0.00 +0.024 A ATOM 22 C LIG 1 3.180 -1.938 0.405 0.00 0.00 +0.010 A BRANCH 20 23 ATOM 23 N LIG 1 6.833 -1.226 0.216 0.00 0.00 -0.327 N ATOM 24 C LIG 1 7.751 -0.094 0.011 0.00 0.00 +0.120 C ATOM 25 C LIG 1 9.088 -0.340 0.747 0.00 0.00 +0.100 C ATOM 26 N LIG 1 9.810 -1.570 0.365 0.00 0.00 -0.313 NA ATOM 27 H LIG 1 10.244 -1.954 1.204 0.00 0.00 +0.122 HD ATOM 28 C LIG 1 8.894 -2.568 -0.213 0.00 0.00 +0.100 C ATOM 29 C LIG 1 7.452 -2.556 0.347 0.00 0.00 +0.120 C ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -1.570 1.877 0.044 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.567 1.784 -0.138 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.054 3.096 0.402 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.120 3.395 0.577 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.106 4.145 0.519 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.080 4.201 1.603 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.983 5.202 1.623 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.994 6.234 0.556 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.821 7.136 0.557 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.028 6.103 -0.410 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -3.021 6.819 -1.128 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.099 5.092 -0.432 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.025 3.163 2.679 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.790 3.024 3.214 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.865 3.445 3.710 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.404 1.946 2.209 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6