REMARK Name = LIG000049 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.369 0.197 0.105 0.00 0.00 +0.152 A ATOM 2 C LIG 1 -2.144 1.342 -0.143 0.00 0.00 +0.148 A ATOM 3 N LIG 1 -1.809 2.648 -0.436 0.00 0.00 -0.231 NA ATOM 4 C LIG 1 -2.964 3.269 -0.559 0.00 0.00 +0.201 A ATOM 5 N LIG 1 -4.026 2.425 -0.354 0.00 0.00 -0.312 N ATOM 6 C LIG 1 -3.515 1.185 -0.083 0.00 0.00 +0.167 A ATOM 7 N LIG 1 -4.188 0.059 0.185 0.00 0.00 -0.195 NA ATOM 8 C LIG 1 -3.374 -0.983 0.418 0.00 0.00 +0.219 A ATOM 9 N LIG 1 -2.027 -0.960 0.388 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -5.439 2.774 -0.410 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -5.847 3.241 -1.807 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.805 3.810 0.653 0.00 0.00 +0.030 C ENDBRANCH 5 10 BRANCH 1 13 ATOM 13 N LIG 1 0.029 0.234 0.052 0.00 0.00 -0.323 N ATOM 14 H LIG 1 0.347 1.201 0.093 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 0.684 -0.652 0.996 0.00 0.00 +0.138 C BRANCH 15 19 ATOM 16 C LIG 1 4.980 0.069 0.856 0.00 0.00 +0.000 A ATOM 17 C LIG 1 4.215 0.419 1.983 0.00 0.00 +0.010 A ATOM 18 C LIG 1 2.834 0.192 2.034 0.00 0.00 +0.006 A ATOM 19 C LIG 1 2.175 -0.405 0.956 0.00 0.00 -0.030 A ATOM 20 C LIG 1 2.922 -0.765 -0.172 0.00 0.00 +0.006 A ATOM 21 C LIG 1 4.303 -0.534 -0.218 0.00 0.00 +0.010 A BRANCH 16 24 ATOM 22 C LIG 1 8.506 0.870 -0.307 0.00 0.00 -0.044 A ATOM 23 C LIG 1 7.126 0.636 -0.350 0.00 0.00 +0.032 A ATOM 24 C LIG 1 6.436 0.327 0.825 0.00 0.00 +0.071 A ATOM 25 N LIG 1 7.074 0.255 2.022 0.00 0.00 -0.255 NA ATOM 26 C LIG 1 8.406 0.474 2.042 0.00 0.00 +0.111 A ATOM 27 C LIG 1 9.157 0.776 0.921 0.00 0.00 +0.023 A BRANCH 22 29 ATOM 28 C LIG 1 9.747 -0.071 -2.272 0.00 0.00 +0.009 C ATOM 29 C LIG 1 9.272 1.188 -1.565 0.00 0.00 +0.032 C ENDBRANCH 22 29 ENDBRANCH 16 24 ENDBRANCH 15 19 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 N LIG 1 -3.915 -2.227 0.705 0.00 0.00 -0.308 N ATOM 31 H LIG 1 -3.162 -2.899 0.602 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 CA LIG 1 -5.177 -2.574 0.045 0.00 0.00 +0.098 C BRANCH 32 33 ATOM 33 C LIG 1 -5.725 -3.827 0.764 0.00 0.00 +0.021 C ATOM 34 C LIG 1 -7.122 -4.246 0.334 0.00 0.00 +0.006 C ENDBRANCH 32 33 BRANCH 32 35 ATOM 35 C LIG 1 -4.963 -2.807 -1.470 0.00 0.00 +0.178 C BRANCH 35 36 ATOM 36 O LIG 1 -6.199 -2.840 -2.177 0.00 0.00 -0.393 OA ATOM 37 H LIG 1 -5.982 -2.930 -3.121 0.00 0.00 +0.209 HD ENDBRANCH 35 36 ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 8 30 TORSDOF 11