REMARK Name = BDB016337 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.070 -2.609 -0.026 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.087 -1.090 0.171 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -0.763 -0.578 -0.151 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.027 -1.232 0.110 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -0.408 0.739 0.209 0.00 0.00 +0.057 A ATOM 6 C LIG 1 -1.324 1.799 0.420 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -0.842 3.068 0.803 0.00 0.00 +0.025 A ATOM 8 C LIG 1 0.517 3.332 0.919 0.00 0.00 +0.003 A ATOM 9 C LIG 1 1.429 2.328 0.640 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -2.729 1.754 0.299 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -3.236 2.589 0.571 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -3.587 0.824 -0.187 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -4.794 1.084 -0.182 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 0.995 1.040 0.273 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.091 -0.459 -0.767 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 2.035 0.036 -0.032 0.00 0.00 -0.013 A ATOM 17 C LIG 1 2.240 -0.406 -1.349 0.00 0.00 +0.049 A ATOM 18 C LIG 1 3.225 -1.349 -1.628 0.00 0.00 +0.159 A ATOM 19 F LIG 1 3.403 -1.760 -2.891 0.00 0.00 -0.202 F ATOM 20 C LIG 1 4.017 -1.861 -0.609 0.00 0.00 +0.158 A ATOM 21 F LIG 1 4.964 -2.770 -0.881 0.00 0.00 -0.202 F ATOM 22 C LIG 1 3.835 -1.439 0.702 0.00 0.00 +0.042 A ATOM 23 C LIG 1 2.847 -0.492 0.990 0.00 0.00 +0.011 A ENDBRANCH 14 16 TORSDOF 1