REMARK Name = BDB022377 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.936 -2.371 1.089 0.00 0.00 +0.042 A ATOM 2 C LIG 1 2.044 -1.712 0.343 0.00 0.00 +0.021 A ATOM 3 C LIG 1 3.383 -2.005 0.669 0.00 0.00 +0.054 A ATOM 4 C LIG 1 4.413 -1.346 -0.019 0.00 0.00 +0.028 A ATOM 5 C LIG 1 4.132 -0.426 -1.034 0.00 0.00 +0.025 A ATOM 6 C LIG 1 2.819 -0.155 -1.407 0.00 0.00 +0.032 A ATOM 7 N LIG 1 3.670 -2.981 1.670 0.00 0.00 -0.311 N ATOM 8 C LIG 1 5.048 -3.308 2.002 0.00 0.00 +0.152 C ATOM 9 C LIG 1 2.663 -3.682 2.309 0.00 0.00 +0.253 A ATOM 10 O LIG 1 2.847 -4.569 3.141 0.00 0.00 -0.268 OA ATOM 11 C LIG 1 1.791 -0.805 -0.710 0.00 0.00 +0.035 A ATOM 12 C LIG 1 1.271 -3.316 1.979 0.00 0.00 +0.093 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.367 -1.973 0.819 0.00 0.00 -0.334 N ATOM 14 H LIG 1 -0.456 -0.996 0.531 0.00 0.00 +0.147 HD BRANCH 13 16 ATOM 15 C LIG 1 -2.167 -3.626 0.850 0.00 0.00 +0.036 C ATOM 16 C LIG 1 -1.596 -2.381 1.525 0.00 0.00 +0.135 C BRANCH 16 17 ATOM 17 C LIG 1 -2.637 -1.252 1.509 0.00 0.00 +0.149 A ATOM 18 N LIG 1 -3.735 -1.393 2.273 0.00 0.00 -0.238 NA ATOM 19 C LIG 1 -4.624 -0.377 2.240 0.00 0.00 +0.118 A ATOM 20 C LIG 1 -4.498 0.787 1.496 0.00 0.00 -0.008 A ATOM 21 C LIG 1 -3.321 0.808 0.760 0.00 0.00 +0.118 A ATOM 22 N LIG 1 -2.386 -0.167 0.743 0.00 0.00 -0.238 NA BRANCH 20 23 ATOM 23 C LIG 1 -5.573 1.936 1.499 0.00 0.00 +0.022 C ATOM 24 C LIG 1 -6.118 2.465 0.141 0.00 0.00 +0.008 C ATOM 25 C LIG 1 -6.225 3.853 0.803 0.00 0.00 +0.001 C ATOM 26 C LIG 1 -5.115 3.398 1.772 0.00 0.00 +0.008 C ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 1 13 BRANCH 6 27 ATOM 27 N LIG 1 2.479 0.774 -2.409 0.00 0.00 -0.313 N ATOM 28 H LIG 1 1.597 0.551 -2.867 0.00 0.00 +0.152 HD BRANCH 27 29 ATOM 29 C LIG 1 3.163 1.904 -2.913 0.00 0.00 +0.053 A ATOM 30 C LIG 1 2.997 2.325 -4.246 0.00 0.00 +0.110 A ATOM 31 C LIG 1 3.735 3.418 -4.684 0.00 0.00 +0.148 A ATOM 32 CL LIG 1 3.632 4.044 -6.287 0.00 0.00 -0.061 Cl ATOM 33 N LIG 1 4.607 4.109 -3.916 0.00 0.00 -0.242 NA ATOM 34 C LIG 1 4.753 3.693 -2.646 0.00 0.00 +0.114 A ATOM 35 C LIG 1 4.068 2.613 -2.112 0.00 0.00 +0.044 A BRANCH 30 36 ATOM 36 C LIG 1 2.097 1.653 -5.127 0.00 0.00 +0.104 C ATOM 37 N LIG 1 1.337 1.086 -5.797 0.00 0.00 -0.191 NA ENDBRANCH 30 36 ENDBRANCH 27 29 ENDBRANCH 6 27 TORSDOF 7