REMARK Name = LIG001554 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.359 0.278 -0.653 0.00 0.00 +0.219 A ATOM 2 N LIG 1 -2.478 0.908 -0.263 0.00 0.00 -0.195 NA ATOM 3 C LIG 1 -2.297 2.229 -0.124 0.00 0.00 +0.167 A ATOM 4 C LIG 1 -1.130 2.937 -0.336 0.00 0.00 +0.148 A ATOM 5 N LIG 1 -1.322 4.285 -0.108 0.00 0.00 -0.231 NA ATOM 6 C LIG 1 -2.584 4.385 0.254 0.00 0.00 +0.201 A ATOM 7 C LIG 1 -0.008 2.196 -0.741 0.00 0.00 +0.152 A ATOM 8 N LIG 1 -3.216 3.167 0.261 0.00 0.00 -0.312 N ATOM 9 N LIG 1 -0.170 0.857 -0.903 0.00 0.00 -0.197 NA ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -4.604 2.909 0.614 0.00 0.00 +0.084 C ATOM 11 C LIG 1 -4.892 3.275 2.070 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -5.569 3.615 -0.339 0.00 0.00 +0.030 C ENDBRANCH 8 10 BRANCH 1 13 ATOM 13 N LIG 1 -1.360 -1.105 -0.834 0.00 0.00 -0.308 N ATOM 14 H LIG 1 -0.367 -1.331 -0.841 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 CA LIG 1 -2.153 -1.855 0.149 0.00 0.00 +0.098 C BRANCH 15 17 ATOM 16 C LIG 1 -2.066 -4.065 1.480 0.00 0.00 +0.006 C ATOM 17 C LIG 1 -1.431 -3.199 0.402 0.00 0.00 +0.021 C ENDBRANCH 15 17 BRANCH 15 18 ATOM 18 C LIG 1 -3.589 -2.059 -0.385 0.00 0.00 +0.178 C BRANCH 18 19 ATOM 19 O LIG 1 -4.485 -2.434 0.660 0.00 0.00 -0.393 OA ATOM 20 H LIG 1 -5.367 -2.504 0.256 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 1.231 2.811 -0.959 0.00 0.00 -0.323 N ATOM 22 H LIG 1 1.092 3.812 -1.069 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 2.082 2.193 -1.961 0.00 0.00 +0.138 C BRANCH 23 24 ATOM 24 C LIG 1 2.946 1.099 -1.375 0.00 0.00 -0.030 A ATOM 25 C LIG 1 2.912 -0.196 -1.907 0.00 0.00 +0.006 A ATOM 26 C LIG 1 3.721 -1.206 -1.376 0.00 0.00 +0.009 A ATOM 27 C LIG 1 4.587 -0.951 -0.301 0.00 0.00 -0.018 A ATOM 28 C LIG 1 4.617 0.349 0.225 0.00 0.00 +0.009 A ATOM 29 C LIG 1 3.808 1.361 -0.304 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 5.434 -2.016 0.259 0.00 0.00 -0.015 A ATOM 31 C LIG 1 6.819 -1.852 0.378 0.00 0.00 +0.028 A ATOM 32 C LIG 1 7.576 -2.885 0.910 0.00 0.00 +0.111 A ATOM 33 N LIG 1 7.058 -4.057 1.331 0.00 0.00 -0.263 NA ATOM 34 C LIG 1 5.721 -4.200 1.214 0.00 0.00 +0.111 A ATOM 35 C LIG 1 4.883 -3.227 0.692 0.00 0.00 +0.028 A ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 7 21 TORSDOF 10