REMARK Name = BDB010954 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.219 0.988 -0.194 0.00 0.00 -0.031 A ATOM 2 C LIG 1 2.406 0.723 -1.324 0.00 0.00 +0.035 A ATOM 3 C LIG 1 1.051 0.517 -1.023 0.00 0.00 +0.094 A ATOM 4 C LIG 1 0.571 0.584 0.327 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -0.773 0.333 0.274 0.00 0.00 +0.123 A ATOM 6 N LIG 1 -1.071 0.130 -1.059 0.00 0.00 -0.239 N ATOM 7 C LIG 1 1.314 0.850 1.480 0.00 0.00 +0.066 A ATOM 8 N LIG 1 0.031 0.243 -1.847 0.00 0.00 -0.166 NA ATOM 9 C LIG 1 2.679 1.050 1.141 0.00 0.00 +0.018 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -2.345 -0.158 -1.634 0.00 0.00 +0.066 A ATOM 11 C LIG 1 -3.503 -0.254 -0.840 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -4.774 -0.537 -1.390 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -4.816 -0.725 -2.789 0.00 0.00 +0.005 A ATOM 14 C LIG 1 -3.678 -0.631 -3.591 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -2.445 -0.346 -3.016 0.00 0.00 +0.028 A BRANCH 12 16 ATOM 16 C LIG 1 -6.127 -0.646 -0.511 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -6.747 -2.091 -0.409 0.00 0.00 +0.022 C ATOM 18 C LIG 1 -6.003 -2.250 0.939 0.00 0.00 -0.012 C ATOM 19 C LIG 1 -6.718 -3.033 2.020 0.00 0.00 +0.007 C ATOM 20 C LIG 1 -6.051 -0.708 1.056 0.00 0.00 +0.022 C BRANCH 16 21 ATOM 21 C LIG 1 -7.170 0.441 -0.998 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -7.034 1.801 -0.952 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.920 2.561 -0.457 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -8.171 2.312 -1.496 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.963 1.330 -1.858 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -8.330 0.149 -1.550 0.00 0.00 -0.134 NA ENDBRANCH 16 21 ENDBRANCH 12 16 ENDBRANCH 6 10 BRANCH 7 27 ATOM 27 C LIG 1 0.808 0.910 2.886 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -0.233 1.777 3.031 0.00 0.00 -0.166 F ATOM 29 F LIG 1 1.747 1.307 3.789 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.350 -0.294 3.330 0.00 0.00 -0.166 F ENDBRANCH 7 27 BRANCH 1 31 ATOM 31 C LIG 1 4.707 1.232 -0.399 0.00 0.00 +0.119 C BRANCH 31 34 ATOM 32 C LIG 1 7.998 -0.225 0.779 0.00 0.00 +0.015 C ATOM 33 C LIG 1 6.931 0.855 0.481 0.00 0.00 +0.089 C ATOM 34 N LIG 1 5.549 0.340 0.411 0.00 0.00 -0.298 NA ATOM 35 C LIG 1 5.515 -1.048 -0.050 0.00 0.00 +0.085 C ATOM 36 C LIG 1 6.176 -1.958 0.993 0.00 0.00 +0.016 C ATOM 37 C LIG 1 7.401 -1.326 1.660 0.00 0.00 +0.007 C BRANCH 32 38 ATOM 38 C LIG 1 9.254 0.376 1.429 0.00 0.00 +0.093 C BRANCH 38 40 ATOM 39 C LIG 1 10.538 2.048 -0.214 0.00 0.00 +0.004 C ATOM 40 C LIG 1 9.959 1.297 0.523 0.00 0.00 -0.105 C ENDBRANCH 38 40 ENDBRANCH 32 38 ENDBRANCH 31 34 ENDBRANCH 1 31 TORSDOF 8