REMARK Name = LIG000334 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.479 0.974 -0.056 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -3.231 -0.079 0.308 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.494 -1.107 0.757 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.116 -1.157 0.862 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -0.697 -2.382 1.338 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -1.807 -3.055 1.546 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.410 -0.011 0.466 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -2.922 -2.327 1.212 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -1.133 1.043 0.008 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.292 -2.801 1.341 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.012 -2.870 -0.004 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.084 -1.999 2.371 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -3.062 2.139 -0.526 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -2.267 2.650 -0.904 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -4.188 2.110 -1.468 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -6.048 1.321 0.164 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -5.522 2.403 -0.763 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -4.231 0.907 -2.429 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -3.052 0.883 -3.238 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -3.031 0.017 -3.679 0.00 0.00 +0.209 HD ENDBRANCH 18 19 ENDBRANCH 15 18 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 21 ATOM 21 N LIG 1 0.986 0.051 0.543 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.369 -0.888 0.634 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 1.607 0.877 -0.473 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 3.108 0.755 -0.358 0.00 0.00 -0.028 A ATOM 25 C LIG 1 3.780 1.291 0.747 0.00 0.00 +0.044 A ATOM 26 C LIG 1 5.167 1.172 0.862 0.00 0.00 +0.133 A ATOM 27 F LIG 1 5.740 1.693 1.959 0.00 0.00 -0.205 F ATOM 28 C LIG 1 5.942 0.523 -0.111 0.00 0.00 +0.036 A ATOM 29 C LIG 1 5.247 -0.023 -1.209 0.00 0.00 +0.013 A ATOM 30 C LIG 1 3.856 0.089 -1.333 0.00 0.00 +0.006 A BRANCH 28 31 ATOM 31 C LIG 1 7.410 0.392 -0.014 0.00 0.00 +0.074 A ATOM 32 N LIG 1 7.939 -0.712 -0.609 0.00 0.00 -0.255 NA ATOM 33 C LIG 1 9.278 -0.886 -0.556 0.00 0.00 +0.111 A ATOM 34 C LIG 1 10.146 -0.003 0.058 0.00 0.00 +0.020 A ATOM 35 C LIG 1 9.607 1.129 0.652 0.00 0.00 +0.004 A ATOM 36 C LIG 1 8.228 1.332 0.615 0.00 0.00 +0.028 A ENDBRANCH 28 31 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10