REMARK Name = BDB035622 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.001 1.376 0.665 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.239 0.205 0.632 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.564 -0.963 0.522 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.168 0.603 0.764 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.290 -0.206 0.779 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.539 0.409 0.920 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.611 1.819 1.035 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.457 2.630 1.020 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.232 1.988 0.880 0.00 0.00 -0.009 A ATOM 10 C LIG 1 0.151 2.551 0.814 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.646 0.396 0.341 0.00 0.00 -0.032 A ATOM 12 C LIG 1 3.232 0.337 0.434 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.417 1.472 0.571 0.00 0.00 +0.037 A ATOM 14 C LIG 1 3.049 2.720 0.614 0.00 0.00 +0.023 A ATOM 15 C LIG 1 4.436 2.825 0.529 0.00 0.00 +0.002 A ATOM 16 C LIG 1 5.218 1.679 0.396 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 5.519 -0.945 0.188 0.00 0.00 +0.061 C ATOM 18 C LIG 1 5.408 -1.953 1.387 0.00 0.00 +0.056 C ATOM 19 C LIG 1 6.906 -2.271 1.214 0.00 0.00 +0.169 C ATOM 20 F LIG 1 7.614 -2.416 2.358 0.00 0.00 -0.245 F ATOM 21 C LIG 1 7.048 -0.900 0.519 0.00 0.00 +0.056 C BRANCH 17 24 ATOM 22 C LIG 1 5.526 0.313 -2.811 0.00 0.00 +0.151 C ATOM 23 N LIG 1 5.276 -1.059 -2.467 0.00 0.00 -0.320 N ATOM 24 C LIG 1 5.259 -1.635 -1.225 0.00 0.00 +0.144 A ATOM 25 N LIG 1 5.035 -2.927 -1.365 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 4.888 -3.195 -2.703 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 5.028 -2.064 -3.352 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 -2.585 4.121 1.172 0.00 0.00 +0.372 C ATOM 29 F LIG 1 -1.418 4.790 0.948 0.00 0.00 -0.204 F ATOM 30 F LIG 1 -3.488 4.661 0.309 0.00 0.00 -0.204 F ENDBRANCH 8 28 BRANCH 6 31 ATOM 31 C LIG 1 -4.808 -0.419 0.928 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.564 -0.194 -0.298 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -4.923 -0.220 -1.092 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -6.774 -1.000 -0.513 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -6.388 -2.451 -0.906 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -7.550 -2.929 -0.005 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -7.436 -1.589 0.761 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.715 -0.286 -1.475 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 7