REMARK Name = LIG001794 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.642 0.330 -3.466 0.00 0.00 +0.068 A ATOM 2 C LIG 1 1.609 1.189 -2.365 0.00 0.00 +0.042 A ATOM 3 C LIG 1 0.611 1.066 -1.371 0.00 0.00 +0.078 A ATOM 4 C LIG 1 -0.382 0.072 -1.492 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.349 -0.757 -2.621 0.00 0.00 +0.026 A ATOM 6 C LIG 1 0.638 -0.629 -3.602 0.00 0.00 +0.030 A ENDROOT BRANCH 1 17 ATOM 7 C LIG 1 5.783 1.366 -1.193 0.00 0.00 -0.016 A ATOM 8 C LIG 1 4.815 0.945 -2.123 0.00 0.00 +0.020 A ATOM 9 C LIG 1 4.842 1.398 -3.444 0.00 0.00 +0.027 A ATOM 10 C LIG 1 5.929 2.194 -3.873 0.00 0.00 +0.051 A ATOM 11 N LIG 1 6.086 2.521 -5.241 0.00 0.00 -0.320 N ATOM 12 H LIG 1 6.887 3.059 -5.546 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 5.269 2.052 -6.263 0.00 0.00 +0.279 A ATOM 14 C LIG 1 4.128 1.275 -5.816 0.00 0.00 +0.178 A ATOM 15 N LIG 1 3.191 0.655 -6.580 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 2.329 0.072 -5.755 0.00 0.00 -0.059 NA ATOM 17 N LIG 1 2.622 0.464 -4.482 0.00 0.00 -0.211 N ATOM 18 O LIG 1 5.516 2.314 -7.436 0.00 0.00 -0.265 OA ATOM 19 C LIG 1 6.891 2.627 -2.964 0.00 0.00 +0.027 A ATOM 20 C LIG 1 3.881 1.038 -4.476 0.00 0.00 +0.109 A ATOM 21 C LIG 1 6.804 2.228 -1.628 0.00 0.00 +0.010 A BRANCH 7 25 ATOM 22 C LIG 1 5.610 -0.004 2.795 0.00 0.00 +0.214 A ATOM 23 N LIG 1 5.777 -0.912 1.812 0.00 0.00 -0.221 NA ATOM 24 C LIG 1 5.830 -0.430 0.548 0.00 0.00 +0.123 A ATOM 25 C LIG 1 5.723 0.918 0.202 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.547 1.821 1.257 0.00 0.00 +0.015 A ATOM 27 C LIG 1 5.490 1.356 2.569 0.00 0.00 +0.068 A BRANCH 22 29 ATOM 28 C LIG 1 5.643 -1.828 4.262 0.00 0.00 +0.279 C ATOM 29 O LIG 1 5.554 -0.414 4.113 0.00 0.00 -0.480 OA ENDBRANCH 22 29 ENDBRANCH 7 25 ENDBRANCH 1 17 BRANCH 4 30 ATOM 30 N LIG 1 -1.363 -0.056 -0.514 0.00 0.00 -0.326 N ATOM 31 C LIG 1 -2.786 -0.125 -0.923 0.00 0.00 +0.124 C ATOM 32 C LIG 1 -3.353 -1.563 -0.929 0.00 0.00 +0.127 C ATOM 33 N LIG 1 -3.018 -2.267 0.318 0.00 0.00 -0.295 N ATOM 34 C LIG 1 -3.851 -2.276 1.431 0.00 0.00 +0.240 C ATOM 35 O LIG 1 -3.437 -2.331 2.586 0.00 0.00 -0.271 OA ATOM 36 C LIG 1 -1.574 -2.306 0.566 0.00 0.00 +0.127 C ATOM 37 C LIG 1 -1.001 -0.880 0.671 0.00 0.00 +0.124 C BRANCH 34 38 ATOM 38 C LIG 1 -5.306 -2.228 1.163 0.00 0.00 +0.071 C ATOM 39 C LIG 1 -6.135 -1.760 2.107 0.00 0.00 +0.056 C BRANCH 39 40 ATOM 40 C LIG 1 -7.593 -1.737 1.828 0.00 0.00 +0.186 C ATOM 41 O LIG 1 -8.059 -2.264 0.821 0.00 0.00 -0.287 OA BRANCH 40 42 ATOM 42 C LIG 1 -8.492 -1.072 2.810 0.00 0.00 +0.022 A ATOM 43 C LIG 1 -9.819 -1.513 2.889 0.00 0.00 +0.012 A ATOM 44 C LIG 1 -10.710 -0.911 3.780 0.00 0.00 +0.001 A ATOM 45 C LIG 1 -10.283 0.141 4.590 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -8.968 0.596 4.504 0.00 0.00 +0.001 A ATOM 47 C LIG 1 -8.072 -0.006 3.616 0.00 0.00 +0.012 A ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 34 38 ENDBRANCH 4 30 BRANCH 3 48 ATOM 48 C LIG 1 0.601 2.045 -0.216 0.00 0.00 +0.419 C ATOM 49 F LIG 1 1.607 2.968 -0.304 0.00 0.00 -0.166 F ATOM 50 F LIG 1 -0.542 2.781 -0.127 0.00 0.00 -0.166 F ATOM 51 F LIG 1 0.782 1.453 0.999 0.00 0.00 -0.166 F ENDBRANCH 3 48 TORSDOF 8