REMARK Name = BDB022849 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.283 -2.401 -2.251 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.262 -0.944 -1.765 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.078 -0.863 -0.304 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -2.054 -0.563 0.641 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -1.842 -0.739 1.843 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.230 -1.302 0.208 0.00 0.00 +0.163 C ATOM 7 C LIG 1 1.400 -0.966 -0.694 0.00 0.00 +0.067 A ATOM 8 C LIG 1 1.198 -0.433 -1.954 0.00 0.00 -0.005 A ATOM 9 C LIG 1 2.340 -0.164 -2.672 0.00 0.00 +0.120 A ATOM 10 N LIG 1 3.581 -0.417 -2.220 0.00 0.00 -0.223 NA ATOM 11 C LIG 1 3.684 -0.957 -1.000 0.00 0.00 +0.216 A ATOM 12 N LIG 1 2.636 -1.238 -0.217 0.00 0.00 -0.218 NA ATOM 13 C LIG 1 -0.171 -0.121 -2.474 0.00 0.00 +0.060 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.402 -0.004 0.166 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.043 0.883 1.268 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.801 0.057 2.339 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.679 -0.990 1.786 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -6.328 -1.729 2.869 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -4.927 -1.900 0.921 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -4.336 -1.141 -0.266 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.859 2.014 0.639 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -4.228 3.244 0.381 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -4.926 4.300 -0.211 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -6.264 4.141 -0.558 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -6.903 2.928 -0.315 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.206 1.872 0.277 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 4.923 -1.251 -0.459 0.00 0.00 -0.310 N ATOM 28 H LIG 1 4.787 -1.347 0.543 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 6.061 -0.439 -0.887 0.00 0.00 +0.083 C ATOM 30 C LIG 1 6.009 0.985 -0.317 0.00 0.00 +0.118 C ATOM 31 C LIG 1 6.866 1.204 0.912 0.00 0.00 +0.217 C ATOM 32 O LIG 1 6.492 1.933 1.827 0.00 0.00 -0.276 OA ATOM 33 N LIG 1 8.111 0.599 0.876 0.00 0.00 -0.304 N ATOM 34 C LIG 1 9.097 0.859 1.908 0.00 0.00 +0.132 C ATOM 35 C LIG 1 8.483 -0.245 -0.243 0.00 0.00 +0.109 C ATOM 36 C LIG 1 7.346 -1.204 -0.537 0.00 0.00 +0.041 C ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 4