REMARK Name = BDB009397 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.641 2.430 2.054 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.014 3.541 1.307 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.158 4.551 1.096 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.279 3.601 0.729 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.175 2.543 0.904 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.816 1.424 1.671 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.540 1.376 2.252 0.00 0.00 +0.020 A ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 3.881 2.431 2.439 0.00 0.00 +0.029 C ATOM 9 C LIG 1 2.914 1.302 2.814 0.00 0.00 +0.091 C ATOM 10 N LIG 1 1.620 1.466 2.122 0.00 0.00 -0.292 N ATOM 11 C LIG 1 0.700 2.371 2.650 0.00 0.00 +0.250 C ATOM 12 O LIG 1 0.928 3.099 3.612 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 1.353 0.581 0.979 0.00 0.00 +0.127 C ATOM 14 C LIG 1 2.623 0.153 0.233 0.00 0.00 +0.127 C ATOM 15 N LIG 1 3.653 -0.404 1.119 0.00 0.00 -0.294 N ATOM 16 C LIG 1 4.569 -1.381 0.742 0.00 0.00 +0.247 C ATOM 17 O LIG 1 5.224 -2.038 1.547 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.542 -0.081 2.544 0.00 0.00 +0.130 C BRANCH 16 19 ATOM 19 C LIG 1 4.769 -1.655 -0.700 0.00 0.00 +0.037 A ATOM 20 C LIG 1 5.124 -0.629 -1.582 0.00 0.00 +0.013 A ATOM 21 C LIG 1 5.319 -0.917 -2.933 0.00 0.00 +0.001 A ATOM 22 C LIG 1 5.173 -2.226 -3.396 0.00 0.00 +0.000 A ATOM 23 C LIG 1 4.844 -3.253 -2.510 0.00 0.00 +0.001 A ATOM 24 C LIG 1 4.648 -2.971 -1.157 0.00 0.00 +0.013 A ENDBRANCH 16 19 ENDBRANCH 1 11 BRANCH 6 25 ATOM 25 C LIG 1 -3.758 0.253 1.823 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 -3.497 -0.811 0.763 0.00 0.00 +0.087 A ATOM 27 C LIG 1 -4.278 -0.781 -0.524 0.00 0.00 +0.059 A ATOM 28 N LIG 1 -5.327 0.112 -0.733 0.00 0.00 -0.342 N ATOM 29 H LIG 1 -5.831 0.366 0.112 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 -6.207 -0.046 -1.889 0.00 0.00 +0.102 C ATOM 31 C LIG 1 -5.381 -0.442 -3.108 0.00 0.00 +0.023 C ATOM 32 C LIG 1 -4.546 -1.696 -2.823 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -3.892 -1.653 -1.469 0.00 0.00 +0.041 A ATOM 34 C LIG 1 -2.814 -2.630 -1.196 0.00 0.00 +0.270 A ATOM 35 O LIG 1 -2.452 -3.444 -2.039 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 -2.262 -2.582 0.055 0.00 0.00 -0.243 N ATOM 37 H LIG 1 -1.526 -3.249 0.263 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -2.558 -1.674 1.024 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4