REMARK Name = LIG001436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 5.671 -1.443 0.441 0.00 0.00 -0.318 N ATOM 2 C LIG 1 4.360 -1.866 0.402 0.00 0.00 +0.073 A ATOM 3 C LIG 1 4.441 -3.230 0.677 0.00 0.00 +0.089 A ATOM 4 C LIG 1 3.271 -4.000 0.707 0.00 0.00 +0.033 A ATOM 5 C LIG 1 2.045 -3.369 0.462 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.973 -1.997 0.199 0.00 0.00 +0.123 A ATOM 7 N LIG 1 5.739 -3.619 0.881 0.00 0.00 -0.236 NA ATOM 8 C LIG 1 3.137 -1.217 0.159 0.00 0.00 +0.073 A ATOM 9 C LIG 1 6.452 -2.527 0.746 0.00 0.00 +0.201 A ENDROOT BRANCH 1 16 ATOM 10 O LIG 1 5.946 3.817 -1.118 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 5.979 2.635 -0.792 0.00 0.00 +0.219 C ATOM 12 N LIG 1 5.466 2.217 0.411 0.00 0.00 -0.255 N ATOM 13 H LIG 1 5.083 2.946 1.000 0.00 0.00 +0.158 HD ATOM 14 C LIG 1 5.578 0.975 0.994 0.00 0.00 +0.242 C ATOM 15 O LIG 1 5.247 0.820 2.166 0.00 0.00 -0.273 OA ATOM 16 C LIG 1 6.199 -0.118 0.136 0.00 0.00 +0.175 C ATOM 17 C LIG 1 6.070 0.203 -1.355 0.00 0.00 +0.044 C ATOM 18 C LIG 1 6.648 1.580 -1.637 0.00 0.00 +0.099 C ENDBRANCH 1 16 BRANCH 6 19 ATOM 19 O LIG 1 0.700 -1.537 -0.013 0.00 0.00 -0.487 OA BRANCH 19 20 ATOM 20 C LIG 1 0.526 -0.124 -0.124 0.00 0.00 +0.264 C BRANCH 20 21 ATOM 21 C LIG 1 -0.941 0.188 -0.303 0.00 0.00 -0.010 A ATOM 22 C LIG 1 -1.708 -0.499 -1.255 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -3.058 -0.190 -1.442 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -3.671 0.814 -0.681 0.00 0.00 -0.033 A ATOM 25 C LIG 1 -2.898 1.514 0.256 0.00 0.00 +0.005 A ATOM 26 C LIG 1 -1.549 1.204 0.445 0.00 0.00 +0.007 A BRANCH 24 27 ATOM 27 C LIG 1 -5.129 1.162 -0.900 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 -5.909 1.238 0.344 0.00 0.00 -0.294 NA ATOM 29 C LIG 1 -7.212 1.891 0.095 0.00 0.00 +0.113 C ATOM 30 C LIG 1 -8.251 1.518 1.162 0.00 0.00 +0.175 C ATOM 31 O LIG 1 -8.571 0.120 1.149 0.00 0.00 -0.377 OA ATOM 32 C LIG 1 -7.479 -0.703 0.716 0.00 0.00 +0.175 C ATOM 33 C LIG 1 -6.101 -0.081 0.988 0.00 0.00 +0.113 C ENDBRANCH 27 28 ENDBRANCH 24 27 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 6 19 TORSDOF 6