REMARK Name = LIG001755 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.081 -1.488 -2.770 0.00 0.00 +0.130 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.740 -1.069 -1.454 0.00 0.00 +0.183 C ATOM 3 C LIG 1 -0.728 -0.857 -0.368 0.00 0.00 +0.163 A ATOM 4 N LIG 1 -1.110 -0.583 0.936 0.00 0.00 -0.275 N ATOM 5 C LIG 1 0.084 -0.632 1.646 0.00 0.00 +0.135 A ATOM 6 N LIG 1 1.080 -0.876 0.815 0.00 0.00 -0.134 NA ATOM 7 C LIG 1 0.263 -0.362 3.093 0.00 0.00 +0.088 C ATOM 8 C LIG 1 -2.436 -0.369 1.324 0.00 0.00 +0.097 A ATOM 9 S LIG 1 -2.933 -0.762 2.886 0.00 0.00 -0.075 S ATOM 10 C LIG 1 -4.570 -0.469 2.511 0.00 0.00 -0.008 A ATOM 11 C LIG 1 -4.739 -0.044 1.200 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -6.081 0.229 0.587 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.616 -0.705 3.554 0.00 0.00 +0.052 C ATOM 14 C LIG 1 -3.460 0.101 0.517 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -3.245 0.689 -0.817 0.00 0.00 +0.076 C ATOM 16 N LIG 1 0.579 -0.999 -0.442 0.00 0.00 -0.132 NA ATOM 17 N LIG 1 -2.463 0.181 -1.707 0.00 0.00 -0.271 NA BRANCH 15 18 ATOM 18 C LIG 1 -3.932 1.976 -1.146 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.129 2.967 -0.174 0.00 0.00 +0.011 A ATOM 20 C LIG 1 -4.760 4.166 -0.516 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.183 4.379 -1.828 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -5.961 5.855 -2.244 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -4.975 3.407 -2.804 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -4.344 2.207 -2.466 0.00 0.00 +0.011 A ENDBRANCH 15 18 ENDBRANCH 1 2 BRANCH 1 27 ATOM 25 N LIG 1 0.848 -2.961 -2.764 0.00 0.00 -0.314 N ATOM 26 H LIG 1 1.372 -2.110 -2.592 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -0.520 -2.886 -2.643 0.00 0.00 +0.216 C ATOM 28 O LIG 1 -1.239 -3.860 -2.436 0.00 0.00 -0.276 OA BRANCH 25 29 ATOM 29 C LIG 1 1.557 -4.204 -2.503 0.00 0.00 +0.123 C BRANCH 29 30 ATOM 30 C LIG 1 1.693 -4.491 -1.003 0.00 0.00 +0.123 C BRANCH 30 32 ATOM 31 C LIG 1 3.768 -3.328 -0.362 0.00 0.00 +0.237 C ATOM 32 N LIG 1 2.405 -3.440 -0.293 0.00 0.00 -0.310 N ATOM 33 H LIG 1 1.861 -2.638 0.031 0.00 0.00 +0.149 HD ATOM 34 O LIG 1 4.498 -4.077 -0.998 0.00 0.00 -0.271 OA BRANCH 31 36 ATOM 35 C LIG 1 3.914 -1.812 1.559 0.00 0.00 +0.056 C ATOM 36 C LIG 1 4.326 -2.147 0.329 0.00 0.00 +0.071 C BRANCH 35 37 ATOM 37 C LIG 1 4.421 -0.647 2.322 0.00 0.00 +0.186 C ATOM 38 O LIG 1 4.433 -0.686 3.549 0.00 0.00 -0.287 OA BRANCH 37 42 ATOM 39 C LIG 1 5.791 2.908 0.356 0.00 0.00 +0.120 A ATOM 40 C LIG 1 4.664 2.242 -0.130 0.00 0.00 +0.046 A ATOM 41 C LIG 1 4.207 1.079 0.501 0.00 0.00 +0.015 A ATOM 42 C LIG 1 4.886 0.569 1.614 0.00 0.00 +0.022 A ATOM 43 C LIG 1 5.999 1.248 2.117 0.00 0.00 +0.015 A ATOM 44 C LIG 1 6.450 2.408 1.483 0.00 0.00 +0.046 A BRANCH 39 46 ATOM 45 C LIG 1 5.724 4.582 -1.331 0.00 0.00 +0.277 C ATOM 46 O LIG 1 6.337 4.048 -0.165 0.00 0.00 -0.495 OA ENDBRANCH 39 46 ENDBRANCH 37 42 ENDBRANCH 35 37 ENDBRANCH 31 36 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 1 27 TORSDOF 10