REMARK Name = LIG001357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.557 -0.316 -1.421 0.00 0.00 -0.030 A ATOM 2 C LIG 1 -1.361 0.151 -0.364 0.00 0.00 +0.011 A ATOM 3 C LIG 1 -2.723 -0.093 -0.408 0.00 0.00 -0.018 A ATOM 4 C LIG 1 -3.796 0.304 0.548 0.00 0.00 +0.144 C ATOM 5 N LIG 1 -4.981 -0.325 -0.018 0.00 0.00 -0.282 N ATOM 6 C LIG 1 -4.724 -0.889 -1.260 0.00 0.00 +0.248 C ATOM 7 O LIG 1 -5.511 -1.366 -2.053 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.277 -0.790 -1.479 0.00 0.00 +0.042 A ATOM 9 C LIG 1 -2.521 -1.268 -2.531 0.00 0.00 +0.014 A ATOM 10 C LIG 1 -1.145 -1.030 -2.493 0.00 0.00 +0.006 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -6.317 -0.015 0.481 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -6.901 1.218 -0.227 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -6.215 2.148 -0.648 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -8.275 1.296 -0.266 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -8.658 2.123 -0.703 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -9.184 0.444 0.308 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -10.383 0.709 0.313 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -8.627 -0.775 1.006 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -7.292 -1.190 0.408 0.00 0.00 +0.041 C ENDBRANCH 5 11 BRANCH 1 20 ATOM 20 C LIG 1 0.933 -0.087 -1.394 0.00 0.00 +0.140 C BRANCH 20 22 ATOM 21 C LIG 1 2.886 -1.005 -0.111 0.00 0.00 +0.262 C ATOM 22 N LIG 1 1.577 -1.045 -0.524 0.00 0.00 -0.306 N ATOM 23 H LIG 1 1.141 -1.950 -0.404 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 3.397 -1.927 0.509 0.00 0.00 -0.269 OA BRANCH 21 25 ATOM 25 C LIG 1 3.695 0.250 -0.396 0.00 0.00 +0.145 C ATOM 26 N LIG 1 3.840 0.607 -1.642 0.00 0.00 -0.087 NA BRANCH 26 27 ATOM 27 O LIG 1 4.561 1.800 -1.756 0.00 0.00 -0.409 OA ATOM 28 H LIG 1 4.711 1.868 -2.718 0.00 0.00 +0.328 HD ENDBRANCH 26 27 BRANCH 25 29 ATOM 29 C LIG 1 4.239 0.961 0.821 0.00 0.00 +0.099 C BRANCH 29 35 ATOM 30 C LIG 1 9.909 -0.058 1.804 0.00 0.00 +0.045 C ATOM 31 C LIG 1 8.446 0.183 1.565 0.00 0.00 -0.032 A ATOM 32 C LIG 1 7.467 -0.743 1.954 0.00 0.00 +0.044 A ATOM 33 CL LIG 1 7.888 -2.222 2.743 0.00 0.00 -0.083 Cl ATOM 34 C LIG 1 6.111 -0.492 1.716 0.00 0.00 +0.024 A ATOM 35 C LIG 1 5.702 0.690 1.083 0.00 0.00 -0.040 A ATOM 36 C LIG 1 6.679 1.613 0.694 0.00 0.00 +0.004 A ATOM 37 C LIG 1 8.033 1.364 0.931 0.00 0.00 +0.005 A ENDBRANCH 29 35 ENDBRANCH 25 29 ENDBRANCH 21 25 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 7