REMARK Name = BDB017676 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.899 -1.016 1.276 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.433 -1.241 -0.000 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.666 -0.687 -0.356 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.394 0.113 0.537 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -4.688 0.684 0.089 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.383 1.552 0.929 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -4.775 2.085 1.545 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -6.508 2.333 0.427 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.351 1.469 -0.502 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.491 0.880 -1.625 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.167 0.362 -1.130 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.396 -0.504 -2.062 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -4.815 -0.788 -3.180 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.866 0.309 1.821 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -3.184 -0.957 -1.626 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -2.675 -1.543 -2.272 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.632 -0.245 2.186 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.430 -1.623 1.671 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 4.248 -0.237 0.324 0.00 0.00 -0.326 N ATOM 20 C LIG 1 3.067 0.598 0.009 0.00 0.00 +0.120 C ATOM 21 C LIG 1 1.877 0.191 0.909 0.00 0.00 +0.103 C ATOM 22 N LIG 1 1.529 -1.245 0.765 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 2.730 -2.062 1.060 0.00 0.00 +0.103 C ATOM 24 C LIG 1 3.944 -1.683 0.178 0.00 0.00 +0.120 C BRANCH 19 26 ATOM 25 C LIG 1 6.683 -0.070 0.453 0.00 0.00 +0.091 A ATOM 26 C LIG 1 5.479 0.129 -0.252 0.00 0.00 +0.052 A ATOM 27 C LIG 1 5.567 0.694 -1.531 0.00 0.00 +0.064 A ATOM 28 C LIG 1 6.815 1.023 -2.037 0.00 0.00 +0.131 A ATOM 29 CL LIG 1 6.976 1.708 -3.601 0.00 0.00 -0.062 Cl ATOM 30 N LIG 1 7.977 0.840 -1.383 0.00 0.00 -0.242 NA ATOM 31 C LIG 1 7.882 0.298 -0.149 0.00 0.00 +0.133 A BRANCH 25 33 ATOM 32 N LIG 1 6.784 -1.074 2.841 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 6.718 -0.616 1.776 0.00 0.00 +0.103 C ENDBRANCH 25 33 ENDBRANCH 19 26 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4