REMARK Name = LIG000254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.046 0.230 -2.044 0.00 0.00 +0.042 A ATOM 2 C LIG 1 -2.156 -0.626 -1.933 0.00 0.00 +0.078 A ATOM 3 C LIG 1 -3.437 -0.163 -2.309 0.00 0.00 +0.042 A ATOM 4 C LIG 1 -3.623 1.143 -2.772 0.00 0.00 +0.068 A ATOM 5 C LIG 1 -2.510 1.976 -2.924 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -1.240 1.525 -2.552 0.00 0.00 +0.026 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -4.903 1.616 -3.162 0.00 0.00 -0.211 N ATOM 8 C LIG 1 -6.179 1.212 -2.809 0.00 0.00 +0.109 A ATOM 9 C LIG 1 -6.968 1.725 -3.824 0.00 0.00 +0.178 A ATOM 10 C LIG 1 -8.374 1.392 -3.954 0.00 0.00 +0.279 A ATOM 11 N LIG 1 -8.857 0.532 -2.975 0.00 0.00 -0.320 N ATOM 12 H LIG 1 -9.839 0.302 -3.055 0.00 0.00 +0.169 HD ATOM 13 C LIG 1 -8.111 0.087 -1.857 0.00 0.00 +0.051 A ATOM 14 C LIG 1 -8.756 -0.662 -0.875 0.00 0.00 +0.027 A ATOM 15 C LIG 1 -8.066 -1.019 0.286 0.00 0.00 +0.010 A ATOM 16 C LIG 1 -6.736 -0.614 0.492 0.00 0.00 -0.016 A ATOM 17 C LIG 1 -6.098 0.137 -0.513 0.00 0.00 +0.020 A ATOM 18 O LIG 1 -9.106 1.803 -4.849 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 -6.239 2.566 -4.604 0.00 0.00 -0.124 NA ATOM 20 C LIG 1 -6.750 0.445 -1.710 0.00 0.00 +0.027 A ATOM 21 N LIG 1 -4.999 2.571 -4.130 0.00 0.00 -0.059 NA BRANCH 16 22 ATOM 22 C LIG 1 -6.027 -0.956 1.732 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -6.512 -0.585 2.987 0.00 0.00 +0.123 A ATOM 24 N LIG 1 -5.905 -0.861 4.166 0.00 0.00 -0.221 NA ATOM 25 C LIG 1 -4.745 -1.546 4.100 0.00 0.00 +0.214 A ATOM 26 C LIG 1 -4.171 -1.967 2.913 0.00 0.00 +0.068 A ATOM 27 C LIG 1 -4.822 -1.668 1.717 0.00 0.00 +0.015 A BRANCH 25 28 ATOM 28 O LIG 1 -4.062 -1.865 5.256 0.00 0.00 -0.480 OA ATOM 29 C LIG 1 -4.712 -1.401 6.434 0.00 0.00 +0.279 C ENDBRANCH 25 28 ENDBRANCH 16 22 ENDBRANCH 4 7 BRANCH 1 34 ATOM 30 C LIG 1 4.428 -0.573 -1.024 0.00 0.00 +0.240 C ATOM 31 N LIG 1 3.053 -0.469 -1.154 0.00 0.00 -0.295 N ATOM 32 C LIG 1 2.113 -0.166 -0.059 0.00 0.00 +0.127 C ATOM 33 C LIG 1 0.826 0.529 -0.548 0.00 0.00 +0.124 C ATOM 34 N LIG 1 0.222 -0.237 -1.661 0.00 0.00 -0.326 N ATOM 35 C LIG 1 1.161 -0.369 -2.802 0.00 0.00 +0.124 C ATOM 36 C LIG 1 2.442 -1.085 -2.342 0.00 0.00 +0.127 C ATOM 37 O LIG 1 5.165 -0.895 -1.956 0.00 0.00 -0.271 OA BRANCH 30 39 ATOM 38 C LIG 1 6.313 0.070 0.372 0.00 0.00 +0.056 C ATOM 39 C LIG 1 5.020 -0.277 0.302 0.00 0.00 +0.071 C BRANCH 38 40 ATOM 40 C LIG 1 6.912 0.347 1.701 0.00 0.00 +0.186 C ATOM 41 O LIG 1 6.212 0.475 2.701 0.00 0.00 -0.287 OA BRANCH 40 45 ATOM 42 C LIG 1 11.168 0.853 2.067 0.00 0.00 +0.120 A ATOM 43 C LIG 1 10.656 0.076 1.027 0.00 0.00 +0.046 A ATOM 44 C LIG 1 9.273 -0.102 0.891 0.00 0.00 +0.015 A ATOM 45 C LIG 1 8.389 0.505 1.792 0.00 0.00 +0.022 A ATOM 46 C LIG 1 8.906 1.270 2.844 0.00 0.00 +0.015 A ATOM 47 C LIG 1 10.286 1.445 2.974 0.00 0.00 +0.046 A BRANCH 42 49 ATOM 48 C LIG 1 13.431 0.523 1.416 0.00 0.00 +0.277 C ATOM 49 O LIG 1 12.490 1.105 2.309 0.00 0.00 -0.495 OA ENDBRANCH 42 49 ENDBRANCH 40 45 ENDBRANCH 38 40 ENDBRANCH 30 39 ENDBRANCH 1 34 BRANCH 2 50 ATOM 50 C LIG 1 -1.990 -2.037 -1.419 0.00 0.00 +0.419 C ATOM 51 F LIG 1 -1.534 -2.096 -0.135 0.00 0.00 -0.166 F ATOM 52 F LIG 1 -1.150 -2.804 -2.169 0.00 0.00 -0.166 F ATOM 53 F LIG 1 -3.173 -2.726 -1.396 0.00 0.00 -0.166 F ENDBRANCH 2 50 TORSDOF 9