REMARK Name = BDB064275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.591 2.515 -1.137 0.00 0.00 +0.055 A ATOM 2 C LIG 1 -0.792 1.542 -1.713 0.00 0.00 +0.126 A ATOM 3 N LIG 1 0.548 1.465 -1.528 0.00 0.00 -0.239 NA ATOM 4 C LIG 1 1.148 2.417 -0.781 0.00 0.00 +0.125 A ATOM 5 C LIG 1 0.408 3.452 -0.202 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.974 3.507 -0.385 0.00 0.00 +0.018 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -3.540 3.592 -1.770 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -3.047 2.544 -1.359 0.00 0.00 +0.248 C ATOM 9 N LIG 1 -3.798 1.405 -1.088 0.00 0.00 -0.294 N ATOM 10 C LIG 1 -5.226 1.438 -1.421 0.00 0.00 +0.127 C ATOM 11 C LIG 1 -5.873 0.048 -1.426 0.00 0.00 +0.127 C ATOM 12 N LIG 1 -5.653 -0.676 -0.172 0.00 0.00 -0.298 N ATOM 13 C LIG 1 -6.623 -1.567 0.262 0.00 0.00 +0.219 C ATOM 14 O LIG 1 -7.641 -1.822 -0.373 0.00 0.00 -0.275 OA ATOM 15 C LIG 1 -4.436 -0.352 0.578 0.00 0.00 +0.127 C ATOM 16 C LIG 1 -3.332 0.254 -0.301 0.00 0.00 +0.127 C BRANCH 13 17 ATOM 17 C LIG 1 -6.391 -2.227 1.577 0.00 0.00 +0.075 C ATOM 18 C LIG 1 -5.565 -3.491 1.651 0.00 0.00 +0.013 C ATOM 19 C LIG 1 -7.042 -3.557 1.890 0.00 0.00 +0.013 C ENDBRANCH 13 17 ENDBRANCH 1 8 BRANCH 4 20 ATOM 20 N LIG 1 2.533 2.393 -0.547 0.00 0.00 -0.268 N ATOM 21 H LIG 1 2.745 2.387 0.441 0.00 0.00 +0.156 HD BRANCH 20 22 ATOM 22 C LIG 1 3.446 1.538 -1.161 0.00 0.00 +0.221 A ATOM 23 N LIG 1 4.384 1.016 -0.349 0.00 0.00 -0.211 NA ATOM 24 C LIG 1 5.326 0.203 -0.898 0.00 0.00 +0.111 A ATOM 25 C LIG 1 5.336 -0.076 -2.250 0.00 0.00 +0.167 A ATOM 26 F LIG 1 6.230 -0.892 -2.821 0.00 0.00 -0.202 F ATOM 27 C LIG 1 4.354 0.514 -3.002 0.00 0.00 +0.155 A ATOM 28 N LIG 1 3.413 1.325 -2.486 0.00 0.00 -0.220 NA BRANCH 24 29 ATOM 29 C LIG 1 6.305 -0.360 0.057 0.00 0.00 +0.005 A ATOM 30 C LIG 1 5.895 -0.716 1.359 0.00 0.00 +0.027 A ATOM 31 C LIG 1 6.828 -1.259 2.261 0.00 0.00 +0.040 A ATOM 32 C LIG 1 8.165 -1.452 1.912 0.00 0.00 +0.078 A ATOM 33 N LIG 1 8.967 -1.995 2.902 0.00 0.00 -0.247 NA ATOM 34 C LIG 1 8.246 -2.211 3.979 0.00 0.00 +0.157 A ATOM 35 C LIG 1 8.579 -1.088 0.618 0.00 0.00 +0.029 A ATOM 36 S LIG 1 6.591 -1.784 3.887 0.00 0.00 -0.075 S ATOM 37 C LIG 1 7.652 -0.551 -0.288 0.00 0.00 +0.012 A ENDBRANCH 24 29 ENDBRANCH 20 22 ENDBRANCH 4 20 TORSDOF 5