REMARK Name = BDB035521 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.199 1.033 0.273 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.049 1.310 0.842 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.351 1.866 1.881 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.065 0.787 -0.081 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.442 0.817 0.043 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.209 0.249 -0.985 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.559 -0.345 -2.093 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.154 -0.367 -2.204 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.423 0.213 -1.171 0.00 0.00 -0.006 A ATOM 10 C LIG 1 1.057 0.338 -1.001 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.927 1.308 0.660 0.00 0.00 -0.035 A ATOM 12 C LIG 1 3.650 1.011 0.140 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.470 1.361 0.818 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.602 2.036 2.036 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.860 2.352 2.560 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.017 1.993 1.877 0.00 0.00 +0.004 A BRANCH 11 18 ATOM 17 C LIG 1 6.416 1.832 -1.287 0.00 0.00 +0.020 C ATOM 18 C LIG 1 6.193 0.907 -0.086 0.00 0.00 +0.084 C BRANCH 18 19 ATOM 19 C LIG 1 6.180 -0.541 -0.497 0.00 0.00 +0.140 A ATOM 20 N LIG 1 6.314 -1.603 0.363 0.00 0.00 -0.320 N ATOM 21 C LIG 1 6.491 -1.565 1.790 0.00 0.00 +0.151 C ATOM 22 C LIG 1 6.218 -2.725 -0.399 0.00 0.00 +0.224 A ATOM 23 N LIG 1 6.035 -2.389 -1.653 0.00 0.00 -0.138 NA ATOM 24 N LIG 1 6.008 -1.017 -1.716 0.00 0.00 -0.134 NA ENDBRANCH 18 19 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 8 25 ATOM 25 C LIG 1 -0.465 -1.003 -3.381 0.00 0.00 +0.418 C ATOM 26 F LIG 1 0.295 -2.071 -3.015 0.00 0.00 -0.166 F ATOM 27 F LIG 1 -1.321 -1.458 -4.335 0.00 0.00 -0.166 F ATOM 28 F LIG 1 0.378 -0.141 -4.012 0.00 0.00 -0.166 F ENDBRANCH 8 25 BRANCH 6 29 ATOM 29 C LIG 1 -4.718 0.239 -0.882 0.00 0.00 +0.116 C BRANCH 29 30 ATOM 30 N LIG 1 -5.154 -0.839 0.003 0.00 0.00 -0.307 NA ATOM 31 H LIG 1 -4.843 -1.731 -0.379 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 -6.594 -0.783 0.294 0.00 0.00 +0.017 C ATOM 33 C LIG 1 -6.846 -1.759 1.483 0.00 0.00 +0.022 C ATOM 34 C LIG 1 -7.690 -0.642 2.134 0.00 0.00 +0.004 C ATOM 35 C LIG 1 -6.884 0.371 1.294 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -7.502 -0.969 -0.907 0.00 0.00 +0.027 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 6 29 TORSDOF 7