REMARK Name = BDB017185 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.709 -0.590 0.605 0.00 0.00 +0.167 C ATOM 2 O LIG 1 0.488 -1.494 1.410 0.00 0.00 -0.292 OA ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.128 -0.161 0.375 0.00 0.00 +0.018 A ATOM 4 C LIG 1 3.129 -0.731 1.175 0.00 0.00 +0.015 A ATOM 5 C LIG 1 4.481 -0.379 1.019 0.00 0.00 -0.047 A ATOM 6 C LIG 1 5.515 -1.019 1.905 0.00 0.00 +0.044 C ATOM 7 C LIG 1 4.836 0.566 0.038 0.00 0.00 -0.047 A ATOM 8 C LIG 1 6.267 0.979 -0.172 0.00 0.00 +0.044 C ATOM 9 C LIG 1 3.832 1.131 -0.763 0.00 0.00 +0.004 A ATOM 10 C LIG 1 2.491 0.772 -0.598 0.00 0.00 +0.011 A ENDBRANCH 1 3 BRANCH 1 13 ATOM 11 N LIG 1 -2.858 0.391 -0.244 0.00 0.00 -0.302 NA ATOM 12 C LIG 1 -1.741 -0.022 0.618 0.00 0.00 +0.095 C ATOM 13 C LIG 1 -0.420 0.088 -0.169 0.00 0.00 +0.074 C ATOM 14 C LIG 1 -0.537 -0.495 -1.588 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -1.795 -1.341 -1.745 0.00 0.00 +0.016 C ATOM 16 C LIG 1 -3.058 -0.564 -1.349 0.00 0.00 +0.084 C BRANCH 11 17 ATOM 17 C LIG 1 -4.083 0.606 0.540 0.00 0.00 +0.084 C BRANCH 17 19 ATOM 18 C LIG 1 -6.423 1.546 0.579 0.00 0.00 +0.005 C ATOM 19 C LIG 1 -5.205 1.250 -0.284 0.00 0.00 +0.012 C ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 1 13 TORSDOF 4