REMARK Name = BDB055179 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.208 2.414 0.049 0.00 0.00 +0.090 C ATOM 2 C LIG 1 -0.049 1.430 0.267 0.00 0.00 +0.034 C ATOM 3 C LIG 1 1.082 1.701 -0.745 0.00 0.00 +0.072 C ATOM 4 C LIG 1 0.519 1.735 -2.188 0.00 0.00 +0.099 C ATOM 5 N LIG 1 -0.583 2.696 -2.349 0.00 0.00 -0.314 NA ATOM 6 H LIG 1 -0.232 3.640 -2.177 0.00 0.00 +0.122 HD ATOM 7 C LIG 1 -1.676 2.415 -1.410 0.00 0.00 +0.093 C ENDROOT BRANCH 3 8 ATOM 8 N LIG 1 2.274 0.866 -0.475 0.00 0.00 -0.283 NA ATOM 9 C LIG 1 2.411 -0.517 -0.988 0.00 0.00 +0.033 C ATOM 10 C LIG 1 2.777 -0.631 -2.487 0.00 0.00 +0.029 C ATOM 11 C LIG 1 1.173 -1.402 -0.733 0.00 0.00 +0.029 C ATOM 12 C LIG 1 3.558 -1.154 -0.146 0.00 0.00 +0.135 C ATOM 13 N LIG 1 4.817 -0.417 -0.205 0.00 0.00 -0.267 N ATOM 14 C LIG 1 4.833 0.964 -0.354 0.00 0.00 +0.234 C ATOM 15 O LIG 1 5.873 1.631 -0.344 0.00 0.00 -0.274 OA ATOM 16 C LIG 1 3.510 1.666 -0.678 0.00 0.00 +0.181 C BRANCH 13 17 ATOM 17 C LIG 1 5.972 -1.102 0.278 0.00 0.00 +0.055 A ATOM 18 C LIG 1 6.635 -0.760 1.472 0.00 0.00 +0.062 A ATOM 19 CL LIG 1 6.016 0.416 2.582 0.00 0.00 -0.082 Cl ATOM 20 C LIG 1 7.778 -1.465 1.865 0.00 0.00 +0.022 A ATOM 21 C LIG 1 8.262 -2.516 1.085 0.00 0.00 +0.002 A ATOM 22 C LIG 1 7.598 -2.876 -0.084 0.00 0.00 +0.002 A ATOM 23 C LIG 1 6.456 -2.177 -0.483 0.00 0.00 +0.025 A ENDBRANCH 13 17 ENDBRANCH 3 8 BRANCH 1 26 ATOM 24 N LIG 1 -2.920 0.876 0.902 0.00 0.00 -0.308 N ATOM 25 H LIG 1 -2.621 0.264 0.159 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 -2.377 2.138 0.985 0.00 0.00 +0.218 C ATOM 27 O LIG 1 -2.789 3.001 1.755 0.00 0.00 -0.275 OA BRANCH 24 28 ATOM 28 C LIG 1 -4.130 0.506 1.624 0.00 0.00 +0.103 C BRANCH 28 29 ATOM 29 C LIG 1 -5.383 0.689 0.779 0.00 0.00 -0.027 A ATOM 30 C LIG 1 -5.413 0.425 -0.600 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.589 0.593 -1.335 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -7.753 1.023 -0.704 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.743 1.286 0.663 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.569 1.119 1.399 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 35 ATOM 35 C LIG 1 -4.014 -0.909 2.228 0.00 0.00 +0.027 C BRANCH 35 37 ATOM 36 C LIG 1 -3.681 -3.389 1.921 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -3.848 -2.050 1.217 0.00 0.00 -0.001 C ENDBRANCH 35 37 ENDBRANCH 28 35 ENDBRANCH 24 28 ENDBRANCH 1 26 TORSDOF 7