REMARK Name = BDB016379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.171 2.920 -1.244 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.832 1.647 -0.704 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -0.782 0.760 -0.228 0.00 0.00 -0.339 N ATOM 4 H LIG 1 0.073 0.842 -0.778 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -1.071 -0.594 0.042 0.00 0.00 +0.057 A ATOM 6 C LIG 1 -2.349 -1.094 0.394 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -2.515 -2.475 0.624 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.446 -3.361 0.573 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -0.178 -2.877 0.300 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -3.544 -0.359 0.550 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.386 -0.894 0.728 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -3.819 0.968 0.578 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -4.991 1.316 0.756 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 0.035 -1.509 0.047 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -2.736 1.989 0.459 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 1.424 -1.076 -0.217 0.00 0.00 -0.016 A ATOM 17 C LIG 1 2.114 -0.268 0.703 0.00 0.00 +0.017 A ATOM 18 C LIG 1 3.430 0.155 0.461 0.00 0.00 +0.018 A ATOM 19 C LIG 1 4.068 -0.255 -0.718 0.00 0.00 +0.009 A ATOM 20 C LIG 1 3.398 -1.057 -1.641 0.00 0.00 +0.001 A ATOM 21 C LIG 1 2.087 -1.464 -1.391 0.00 0.00 +0.008 A BRANCH 18 22 ATOM 22 C LIG 1 4.156 0.998 1.477 0.00 0.00 +0.372 C ATOM 23 F LIG 1 3.348 1.910 2.086 0.00 0.00 -0.204 F ATOM 24 F LIG 1 5.183 1.717 0.941 0.00 0.00 -0.204 F ENDBRANCH 18 22 ENDBRANCH 14 16 TORSDOF 2