REMARK Name = LIG000121 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.929 3.528 0.130 0.00 0.00 -0.312 N ATOM 2 C LIG 1 -1.740 2.172 0.130 0.00 0.00 +0.167 A ATOM 3 C LIG 1 -0.375 2.003 0.238 0.00 0.00 +0.148 A ATOM 4 C LIG 1 0.086 0.680 0.267 0.00 0.00 +0.152 A ATOM 5 N LIG 1 -0.842 -0.309 0.174 0.00 0.00 -0.197 NA ATOM 6 C LIG 1 -2.165 -0.033 0.072 0.00 0.00 +0.222 A ATOM 7 N LIG 1 0.273 3.221 0.282 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -2.670 1.214 0.045 0.00 0.00 -0.195 NA ATOM 9 C LIG 1 -0.693 4.114 0.221 0.00 0.00 +0.201 A ENDROOT BRANCH 6 10 ATOM 10 N LIG 1 -3.060 -1.110 0.013 0.00 0.00 -0.296 N ATOM 11 C LIG 1 -4.379 -0.835 -0.591 0.00 0.00 +0.078 C ATOM 12 C LIG 1 -4.885 -2.013 -1.444 0.00 0.00 +0.022 C ATOM 13 C LIG 1 -4.660 -3.414 -0.885 0.00 0.00 +0.003 C ATOM 14 C LIG 1 -3.434 -3.529 0.008 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -2.432 -2.408 -0.233 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 -5.390 -0.318 0.457 0.00 0.00 +0.050 C BRANCH 16 17 ATOM 17 C LIG 1 -5.732 -1.254 1.604 0.00 0.00 +0.157 C BRANCH 17 18 ATOM 18 O LIG 1 -6.706 -2.203 1.193 0.00 0.00 -0.395 OA ATOM 19 H LIG 1 -6.875 -2.779 1.958 0.00 0.00 +0.209 HD ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 11 16 ENDBRANCH 6 10 BRANCH 1 21 ATOM 20 C LIG 1 -3.491 5.039 1.301 0.00 0.00 +0.030 C ATOM 21 C LIG 1 -3.212 4.211 0.047 0.00 0.00 +0.084 C ATOM 22 C LIG 1 -3.315 5.064 -1.218 0.00 0.00 +0.030 C ENDBRANCH 1 21 BRANCH 4 23 ATOM 23 N LIG 1 1.447 0.381 0.390 0.00 0.00 -0.323 N ATOM 24 H LIG 1 2.008 1.202 0.176 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 1.859 -0.839 -0.275 0.00 0.00 +0.138 C BRANCH 25 26 ATOM 26 C LIG 1 3.365 -0.948 -0.219 0.00 0.00 -0.030 A ATOM 27 C LIG 1 4.002 -1.349 0.960 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.397 -1.442 1.018 0.00 0.00 +0.010 A ATOM 29 C LIG 1 6.203 -1.125 -0.090 0.00 0.00 +0.000 A ATOM 30 C LIG 1 5.547 -0.721 -1.267 0.00 0.00 +0.010 A ATOM 31 C LIG 1 4.151 -0.628 -1.332 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 7.675 -1.222 -0.003 0.00 0.00 +0.071 A ATOM 33 N LIG 1 8.156 -2.196 0.814 0.00 0.00 -0.255 NA ATOM 34 C LIG 1 9.496 -2.328 0.925 0.00 0.00 +0.111 A ATOM 35 C LIG 1 10.407 -1.526 0.262 0.00 0.00 +0.020 A ATOM 36 C LIG 1 9.913 -0.526 -0.564 0.00 0.00 +0.004 A ATOM 37 C LIG 1 8.534 -0.369 -0.698 0.00 0.00 +0.028 A ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 9