REMARK Name = LIG000222 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.964 0.676 -1.880 0.00 0.00 +0.139 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.441 0.686 -1.330 0.00 0.00 -0.030 A ATOM 3 C LIG 1 1.410 -0.204 -1.831 0.00 0.00 +0.011 A ATOM 4 C LIG 1 2.681 -0.175 -1.283 0.00 0.00 -0.018 A ATOM 5 C LIG 1 3.891 -0.973 -1.634 0.00 0.00 +0.144 C ATOM 6 N LIG 1 4.867 -0.530 -0.647 0.00 0.00 -0.282 N ATOM 7 C LIG 1 4.393 0.526 0.111 0.00 0.00 +0.248 C ATOM 8 O LIG 1 4.996 1.214 0.909 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.985 0.716 -0.256 0.00 0.00 +0.042 A ATOM 10 C LIG 1 2.062 1.601 0.263 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.776 1.577 -0.281 0.00 0.00 +0.006 A BRANCH 6 12 ATOM 12 C LIG 1 6.261 -0.954 -0.728 0.00 0.00 +0.163 C ATOM 13 C LIG 1 7.100 0.117 -1.425 0.00 0.00 +0.240 C ATOM 14 O LIG 1 6.875 0.473 -2.583 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 8.097 0.709 -0.694 0.00 0.00 -0.255 N ATOM 16 H LIG 1 8.633 1.419 -1.173 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 8.383 0.558 0.637 0.00 0.00 +0.219 C ATOM 18 O LIG 1 9.298 1.198 1.153 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 7.524 -0.391 1.431 0.00 0.00 +0.098 C ATOM 20 C LIG 1 6.877 -1.463 0.574 0.00 0.00 +0.041 C ENDBRANCH 6 12 ENDBRANCH 1 2 BRANCH 1 22 ATOM 21 C LIG 1 -2.621 0.394 -0.076 0.00 0.00 +0.234 C ATOM 22 N LIG 1 -1.827 -0.150 -1.065 0.00 0.00 -0.310 N ATOM 23 H LIG 1 -1.605 -1.136 -1.017 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 -2.732 1.607 0.104 0.00 0.00 -0.274 OA BRANCH 21 25 ATOM 25 C LIG 1 -3.375 -0.638 0.783 0.00 0.00 +0.163 C BRANCH 25 28 ATOM 26 C LIG 1 -4.877 0.243 4.163 0.00 0.00 +0.109 C ATOM 27 C LIG 1 -4.312 -0.631 3.077 0.00 0.00 +0.211 C ATOM 28 N LIG 1 -3.919 0.043 1.953 0.00 0.00 -0.304 N ATOM 29 H LIG 1 -4.054 1.046 1.869 0.00 0.00 +0.149 HD ATOM 30 O LIG 1 -4.231 -1.850 3.191 0.00 0.00 -0.276 OA ENDBRANCH 25 28 BRANCH 25 31 ATOM 31 C LIG 1 -4.436 -1.404 -0.031 0.00 0.00 +0.067 C BRANCH 31 32 ATOM 32 C LIG 1 -5.629 -0.578 -0.462 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -6.803 -0.582 0.310 0.00 0.00 +0.006 A ATOM 34 C LIG 1 -7.903 0.185 -0.072 0.00 0.00 +0.038 A ATOM 35 C LIG 1 -7.832 0.958 -1.225 0.00 0.00 +0.123 A ATOM 36 F LIG 1 -8.888 1.695 -1.592 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -6.681 0.975 -2.003 0.00 0.00 +0.038 A ATOM 38 C LIG 1 -5.579 0.207 -1.624 0.00 0.00 +0.006 A ENDBRANCH 31 32 ENDBRANCH 25 31 ENDBRANCH 21 25 ENDBRANCH 1 22 TORSDOF 7