REMARK Name = BDB056507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.688 -0.281 0.362 0.00 0.00 +0.104 C ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 -7.321 0.810 1.391 0.00 0.00 +0.044 C ATOM 3 C LIG 1 -5.873 0.665 1.033 0.00 0.00 -0.050 A ATOM 4 C LIG 1 -5.366 1.233 -0.135 0.00 0.00 +0.008 A ATOM 5 C LIG 1 -4.014 1.069 -0.498 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -3.551 1.714 -1.774 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -2.411 0.909 -2.355 0.00 0.00 +0.024 C ATOM 8 C LIG 1 -1.309 0.797 -1.319 0.00 0.00 +0.114 C ATOM 9 N LIG 1 -1.724 0.224 -0.029 0.00 0.00 -0.271 N ATOM 10 C LIG 1 -0.743 -0.211 0.891 0.00 0.00 +0.220 C ATOM 11 O LIG 1 -0.950 -0.537 2.060 0.00 0.00 -0.275 OA ATOM 12 C LIG 1 -3.124 0.348 0.330 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -3.668 -0.249 1.477 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -5.018 -0.097 1.824 0.00 0.00 +0.005 A ENDBRANCH 1 10 BRANCH 1 15 ATOM 15 C LIG 1 1.688 -0.659 1.453 0.00 0.00 +0.083 C BRANCH 15 16 ATOM 16 C LIG 1 3.042 -0.885 0.835 0.00 0.00 +0.111 A ATOM 17 N LIG 1 3.354 -2.182 0.529 0.00 0.00 -0.310 N ATOM 18 H LIG 1 2.723 -2.939 0.753 0.00 0.00 +0.170 HD ATOM 19 C LIG 1 4.539 -2.553 -0.055 0.00 0.00 +0.259 A ATOM 20 O LIG 1 4.800 -3.722 -0.312 0.00 0.00 -0.267 OA ATOM 21 C LIG 1 5.471 -1.453 -0.353 0.00 0.00 +0.065 A ATOM 22 C LIG 1 5.066 -0.159 -0.017 0.00 0.00 +0.078 A ATOM 23 C LIG 1 5.932 0.902 -0.289 0.00 0.00 +0.028 A ATOM 24 C LIG 1 7.176 0.670 -0.884 0.00 0.00 +0.002 A ATOM 25 C LIG 1 7.566 -0.629 -1.214 0.00 0.00 +0.001 A ATOM 26 C LIG 1 6.712 -1.698 -0.949 0.00 0.00 +0.015 A ATOM 27 N LIG 1 3.823 0.114 0.580 0.00 0.00 -0.234 NA ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 3