REMARK Name = LIG000265 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.154 -1.106 0.810 0.00 0.00 +0.033 A ATOM 2 C LIG 1 -1.715 -0.324 -0.210 0.00 0.00 +0.070 A ATOM 3 C LIG 1 -3.090 -0.043 -0.243 0.00 0.00 +0.143 A ATOM 4 C LIG 1 -3.956 -0.562 0.747 0.00 0.00 +0.076 A ATOM 5 C LIG 1 -3.398 -1.338 1.762 0.00 0.00 +0.029 A ATOM 6 C LIG 1 -2.024 -1.603 1.789 0.00 0.00 +0.025 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 3.142 -1.418 1.023 0.00 0.00 +0.060 C ATOM 8 C LIG 1 2.344 -2.057 -0.137 0.00 0.00 +0.038 C ATOM 9 C LIG 1 1.004 -1.353 -0.351 0.00 0.00 +0.106 C ATOM 10 N LIG 1 0.212 -1.429 0.885 0.00 0.00 -0.330 N ATOM 11 C LIG 1 0.885 -0.835 2.057 0.00 0.00 +0.106 C ATOM 12 C LIG 1 2.234 -1.523 2.271 0.00 0.00 +0.038 C BRANCH 7 17 ATOM 13 C LIG 1 7.141 1.718 0.608 0.00 0.00 +0.240 C ATOM 14 N LIG 1 5.783 1.911 0.408 0.00 0.00 -0.296 N ATOM 15 C LIG 1 4.929 1.956 1.589 0.00 0.00 +0.123 C ATOM 16 C LIG 1 4.347 0.558 1.887 0.00 0.00 +0.103 C ATOM 17 N LIG 1 3.605 -0.028 0.732 0.00 0.00 -0.296 NA ATOM 18 C LIG 1 4.466 0.023 -0.483 0.00 0.00 +0.103 C ATOM 19 C LIG 1 5.056 1.424 -0.764 0.00 0.00 +0.123 C ATOM 20 O LIG 1 7.657 1.638 1.721 0.00 0.00 -0.271 OA BRANCH 13 22 ATOM 21 C LIG 1 9.176 1.014 -0.523 0.00 0.00 +0.056 C ATOM 22 C LIG 1 7.988 1.628 -0.605 0.00 0.00 +0.071 C BRANCH 21 23 ATOM 23 C LIG 1 10.026 0.930 -1.737 0.00 0.00 +0.186 C ATOM 24 O LIG 1 9.579 1.198 -2.848 0.00 0.00 -0.287 OA BRANCH 23 28 ATOM 25 C LIG 1 14.085 -0.447 -1.398 0.00 0.00 +0.120 A ATOM 26 C LIG 1 13.362 -0.606 -2.582 0.00 0.00 +0.046 A ATOM 27 C LIG 1 12.045 -0.151 -2.679 0.00 0.00 +0.015 A ATOM 28 C LIG 1 11.430 0.462 -1.581 0.00 0.00 +0.022 A ATOM 29 C LIG 1 12.158 0.636 -0.399 0.00 0.00 +0.015 A ATOM 30 C LIG 1 13.480 0.179 -0.308 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 31 C LIG 1 16.149 -0.784 -0.264 0.00 0.00 +0.277 C ATOM 32 O LIG 1 15.361 -0.938 -1.438 0.00 0.00 -0.495 OA ENDBRANCH 25 32 ENDBRANCH 23 28 ENDBRANCH 21 23 ENDBRANCH 13 22 ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 33 ATOM 33 O LIG 1 -3.710 0.723 -1.209 0.00 0.00 -0.493 OA ATOM 34 C LIG 1 -2.871 1.413 -2.125 0.00 0.00 +0.277 C ENDBRANCH 3 33 BRANCH 4 35 ATOM 35 N LIG 1 -5.323 -0.258 0.662 0.00 0.00 -0.281 N ATOM 36 H LIG 1 -5.576 0.278 -0.158 0.00 0.00 +0.155 HD BRANCH 35 37 ATOM 37 C LIG 1 -6.450 -0.598 1.395 0.00 0.00 +0.221 A ATOM 38 N LIG 1 -7.610 -0.129 0.905 0.00 0.00 -0.198 NA ATOM 39 C LIG 1 -8.764 -0.424 1.546 0.00 0.00 +0.147 A ATOM 40 C LIG 1 -8.760 -1.180 2.710 0.00 0.00 +0.099 A ATOM 41 CL LIG 1 -10.179 -1.578 3.596 0.00 0.00 -0.078 Cl ATOM 42 C LIG 1 -7.531 -1.612 3.144 0.00 0.00 +0.137 A ATOM 43 N LIG 1 -6.375 -1.339 2.509 0.00 0.00 -0.221 NA BRANCH 39 44 ATOM 44 N LIG 1 -9.999 0.069 1.045 0.00 0.00 -0.298 N ATOM 45 H LIG 1 -10.705 -0.679 1.103 0.00 0.00 +0.154 HD BRANCH 44 46 ATOM 46 C LIG 1 -10.230 0.967 -0.022 0.00 0.00 +0.043 A ATOM 47 C LIG 1 -11.403 0.867 -0.802 0.00 0.00 +0.032 A ATOM 48 C LIG 1 -11.639 1.802 -1.828 0.00 0.00 +0.013 A ATOM 49 C LIG 1 -10.738 2.833 -2.079 0.00 0.00 +0.001 A ATOM 50 C LIG 1 -9.591 2.947 -1.304 0.00 0.00 +0.002 A ATOM 51 C LIG 1 -9.347 2.027 -0.282 0.00 0.00 +0.024 A BRANCH 47 52 ATOM 52 P LIG 1 -12.579 -0.431 -0.531 0.00 0.00 +0.112 P ATOM 53 O LIG 1 -12.183 -1.443 0.521 0.00 0.00 -0.317 OA ATOM 54 C LIG 1 -12.908 -1.275 -2.082 0.00 0.00 +0.086 C ATOM 55 C LIG 1 -14.168 0.294 -0.110 0.00 0.00 +0.086 C ENDBRANCH 47 52 ENDBRANCH 44 46 ENDBRANCH 39 44 ENDBRANCH 35 37 ENDBRANCH 4 35 TORSDOF 12