REMARK Name = LIG000055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.193 0.411 -0.462 0.00 0.00 -0.299 N ATOM 2 H LIG 1 1.111 -0.220 -1.258 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 8 ATOM 3 N LIG 1 5.265 -1.115 0.221 0.00 0.00 -0.282 N ATOM 4 C LIG 1 4.981 -1.675 1.454 0.00 0.00 +0.248 C ATOM 5 O LIG 1 5.745 -2.236 2.215 0.00 0.00 -0.270 OA ATOM 6 C LIG 1 3.558 -1.433 1.713 0.00 0.00 +0.043 A ATOM 7 C LIG 1 3.041 -0.688 0.652 0.00 0.00 +0.003 A ATOM 8 C LIG 1 1.711 -0.290 0.647 0.00 0.00 +0.038 A ATOM 9 C LIG 1 0.916 -0.712 1.728 0.00 0.00 +0.023 A ATOM 10 C LIG 1 1.454 -1.462 2.794 0.00 0.00 +0.003 A ATOM 11 C LIG 1 2.798 -1.827 2.796 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.117 -0.418 -0.349 0.00 0.00 +0.146 C BRANCH 3 19 ATOM 13 O LIG 1 9.772 0.743 -2.340 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 8.868 0.202 -1.710 0.00 0.00 +0.219 C ATOM 15 N LIG 1 7.922 -0.561 -2.348 0.00 0.00 -0.255 N ATOM 16 H LIG 1 7.995 -0.589 -3.356 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 6.742 -1.039 -1.824 0.00 0.00 +0.240 C ATOM 18 O LIG 1 5.879 -1.494 -2.572 0.00 0.00 -0.273 OA ATOM 19 C LIG 1 6.627 -0.998 -0.292 0.00 0.00 +0.163 C ATOM 20 C LIG 1 7.301 0.269 0.237 0.00 0.00 +0.041 C ATOM 21 C LIG 1 8.754 0.302 -0.209 0.00 0.00 +0.098 C ENDBRANCH 3 19 ENDBRANCH 1 8 BRANCH 1 22 ATOM 22 C LIG 1 0.067 1.211 -0.415 0.00 0.00 +0.123 C ATOM 23 C LIG 1 -0.072 2.249 0.650 0.00 0.00 +0.058 C ATOM 24 C LIG 1 -1.153 3.022 0.583 0.00 0.00 +0.073 C ATOM 25 N LIG 1 -2.064 2.900 -0.419 0.00 0.00 -0.317 N ATOM 26 H LIG 1 -2.991 3.280 -0.271 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 -2.017 1.819 -1.365 0.00 0.00 +0.264 C ATOM 28 N LIG 1 -0.806 0.999 -1.353 0.00 0.00 -0.232 NA BRANCH 27 29 ATOM 29 N LIG 1 -3.167 0.934 -1.437 0.00 0.00 -0.280 NA ATOM 30 H LIG 1 -2.912 0.244 -2.140 0.00 0.00 +0.125 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.417 0.242 -0.174 0.00 0.00 +0.084 C BRANCH 31 32 ATOM 32 C LIG 1 -4.614 -0.708 -0.306 0.00 0.00 +0.017 C BRANCH 32 33 ATOM 33 C LIG 1 -5.934 0.029 -0.571 0.00 0.00 +0.023 C BRANCH 33 34 ATOM 34 C LIG 1 -7.122 -0.929 -0.729 0.00 0.00 +0.073 C ATOM 35 N LIG 1 -8.303 -0.215 -1.135 0.00 0.00 -0.312 N ATOM 36 H LIG 1 -8.448 0.220 -2.038 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 -9.144 0.073 -0.081 0.00 0.00 +0.213 C ATOM 38 O LIG 1 -10.136 0.777 -0.142 0.00 0.00 -0.276 OA ATOM 39 C LIG 1 -8.594 -0.595 1.152 0.00 0.00 +0.097 C ATOM 40 C LIG 1 -7.577 -1.579 0.576 0.00 0.00 +0.031 C ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 27 29 ENDBRANCH 1 22 TORSDOF 8