REMARK Name = BDB051912 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.873 2.347 -0.149 0.00 0.00 +0.132 A ATOM 2 C LIG 1 2.075 2.552 -1.021 0.00 0.00 +0.360 A ATOM 3 O LIG 1 2.391 3.688 -1.373 0.00 0.00 -0.243 OA ATOM 4 O LIG 1 2.790 1.439 -1.414 0.00 0.00 -0.421 OA ATOM 5 C LIG 1 2.516 0.182 -0.855 0.00 0.00 +0.141 A ATOM 6 C LIG 1 1.436 -0.016 0.004 0.00 0.00 +0.041 A ATOM 7 C LIG 1 1.298 -1.288 0.579 0.00 0.00 +0.013 A ATOM 8 C LIG 1 2.184 -2.325 0.264 0.00 0.00 +0.001 A ATOM 9 C LIG 1 3.235 -2.104 -0.623 0.00 0.00 +0.004 A ATOM 10 C LIG 1 3.407 -0.842 -1.183 0.00 0.00 +0.047 A ATOM 11 C LIG 1 0.526 1.115 0.281 0.00 0.00 +0.070 A ENDROOT BRANCH 1 12 ATOM 12 N LIG 1 0.123 3.498 0.170 0.00 0.00 -0.351 N ATOM 13 H LIG 1 0.601 4.312 -0.238 0.00 0.00 +0.143 HD ATOM 14 H LIG 1 0.100 3.623 1.181 0.00 0.00 +0.143 HD ENDBRANCH 1 12 BRANCH 11 15 ATOM 15 N LIG 1 -0.648 0.912 1.022 0.00 0.00 -0.312 N ATOM 16 H LIG 1 -1.113 1.820 1.122 0.00 0.00 +0.152 HD BRANCH 15 17 ATOM 17 C LIG 1 -1.683 0.006 0.647 0.00 0.00 +0.031 A ATOM 18 C LIG 1 -2.628 -0.349 1.620 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -3.699 -1.188 1.305 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -3.849 -1.666 0.005 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -2.933 -1.299 -0.978 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -1.861 -0.460 -0.662 0.00 0.00 +0.023 A ENDBRANCH 15 17 ENDBRANCH 11 15 TORSDOF 3