REMARK Name = LIG001758 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.011 -0.211 -2.003 0.00 0.00 +0.129 A ATOM 2 C LIG 1 2.670 0.989 -1.672 0.00 0.00 +0.024 A ATOM 3 C LIG 1 2.902 1.929 -2.691 0.00 0.00 +0.012 A ATOM 4 C LIG 1 2.509 1.673 -4.005 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.886 0.469 -4.323 0.00 0.00 +0.004 A ATOM 6 C LIG 1 1.642 -0.476 -3.326 0.00 0.00 +0.046 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 3.109 1.282 -0.303 0.00 0.00 -0.009 A ATOM 8 C LIG 1 4.287 0.761 0.219 0.00 0.00 -0.010 A ATOM 9 C LIG 1 5.280 -0.158 -0.410 0.00 0.00 +0.145 C ATOM 10 N LIG 1 6.298 -0.285 0.623 0.00 0.00 -0.282 N ATOM 11 C LIG 1 5.953 0.379 1.785 0.00 0.00 +0.248 C ATOM 12 O LIG 1 6.549 0.400 2.844 0.00 0.00 -0.270 OA ATOM 13 C LIG 1 4.683 1.063 1.522 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.945 1.874 2.363 0.00 0.00 +0.013 A ATOM 15 C LIG 1 2.756 2.399 1.861 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.345 2.107 0.545 0.00 0.00 +0.009 A BRANCH 10 17 ATOM 17 C LIG 1 7.468 -1.134 0.439 0.00 0.00 +0.163 C ATOM 18 C LIG 1 7.434 -2.316 1.409 0.00 0.00 +0.240 C ATOM 19 O LIG 1 6.573 -3.194 1.350 0.00 0.00 -0.273 OA ATOM 20 N LIG 1 8.384 -2.333 2.401 0.00 0.00 -0.255 N ATOM 21 H LIG 1 8.325 -3.102 3.053 0.00 0.00 +0.158 HD ATOM 22 C LIG 1 9.320 -1.378 2.702 0.00 0.00 +0.219 C ATOM 23 O LIG 1 10.074 -1.523 3.662 0.00 0.00 -0.275 OA ATOM 24 C LIG 1 9.370 -0.152 1.825 0.00 0.00 +0.098 C ATOM 25 C LIG 1 8.808 -0.403 0.438 0.00 0.00 +0.041 C ENDBRANCH 10 17 ENDBRANCH 2 7 BRANCH 1 26 ATOM 26 O LIG 1 1.804 -1.116 -0.990 0.00 0.00 -0.482 OA BRANCH 26 27 ATOM 27 C LIG 1 0.494 -1.662 -0.938 0.00 0.00 +0.326 C BRANCH 27 30 ATOM 28 N LIG 1 -1.876 -1.241 -1.287 0.00 0.00 -0.204 N ATOM 29 H LIG 1 -1.936 -2.254 -1.332 0.00 0.00 +0.177 HD ATOM 30 C LIG 1 -0.688 -0.682 -0.804 0.00 0.00 +0.270 C ATOM 31 O LIG 1 -0.577 0.444 -0.325 0.00 0.00 -0.270 OA BRANCH 28 33 ATOM 32 C LIG 1 -3.172 0.634 -1.429 0.00 0.00 +0.142 C ATOM 33 N LIG 1 -3.107 -0.642 -1.205 0.00 0.00 -0.188 NA BRANCH 32 35 ATOM 34 C LIG 1 -5.688 0.869 -1.093 0.00 0.00 +0.130 A ATOM 35 C LIG 1 -4.423 1.421 -1.328 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -4.301 2.810 -1.489 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -5.429 3.631 -1.430 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -6.688 3.072 -1.220 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -6.818 1.694 -1.061 0.00 0.00 +0.046 A BRANCH 34 40 ATOM 40 O LIG 1 -5.905 -0.477 -0.964 0.00 0.00 -0.487 OA BRANCH 40 41 ATOM 41 C LIG 1 -5.726 -0.909 0.393 0.00 0.00 +0.264 C BRANCH 41 44 ATOM 42 C LIG 1 -7.867 -2.841 -0.482 0.00 0.00 +0.044 C ATOM 43 C LIG 1 -8.059 -1.927 0.698 0.00 0.00 -0.044 A ATOM 44 C LIG 1 -7.060 -1.016 1.105 0.00 0.00 -0.007 A ATOM 45 C LIG 1 -7.313 -0.168 2.197 0.00 0.00 +0.007 A ATOM 46 C LIG 1 -8.531 -0.213 2.874 0.00 0.00 +0.000 A ATOM 47 C LIG 1 -9.518 -1.104 2.466 0.00 0.00 +0.000 A ATOM 48 C LIG 1 -9.285 -1.952 1.384 0.00 0.00 +0.004 A ENDBRANCH 41 44 ENDBRANCH 40 41 ENDBRANCH 34 40 ENDBRANCH 32 35 ENDBRANCH 28 33 ENDBRANCH 27 30 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 10