REMARK Name = BDB036016 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.450 0.367 -0.643 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.627 -0.923 -1.201 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.534 -1.744 -1.540 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.260 -1.234 -1.307 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.077 -1.853 -1.554 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -1.017 -0.839 -1.093 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.347 0.299 -0.634 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.761 1.356 -0.197 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.091 0.034 -0.767 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.153 0.854 -0.431 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.425 -1.035 -1.140 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.327 -0.076 -0.648 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.737 -0.233 -0.683 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -5.210 -1.429 -1.251 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -4.342 -2.403 -1.740 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.963 -2.207 -1.682 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.708 0.919 -0.094 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -5.632 2.308 -0.837 0.00 0.00 +0.022 C ATOM 19 C LIG 1 -6.849 1.857 -1.680 0.00 0.00 -0.012 C ATOM 20 C LIG 1 -7.852 2.930 -2.051 0.00 0.00 +0.007 C ATOM 21 C LIG 1 -7.228 0.936 -0.496 0.00 0.00 +0.022 C BRANCH 17 22 ATOM 22 C LIG 1 -5.531 1.043 1.476 0.00 0.00 +0.144 A ATOM 23 N LIG 1 -5.704 0.062 2.414 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -6.078 -1.308 2.205 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -5.453 0.644 3.619 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -5.156 1.909 3.442 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -5.202 2.161 2.091 0.00 0.00 -0.134 NA ENDBRANCH 17 22 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 2.725 -3.119 -2.117 0.00 0.00 +0.418 C ATOM 29 F LIG 1 2.237 -4.092 -1.298 0.00 0.00 -0.166 F ATOM 30 F LIG 1 4.023 -3.445 -2.361 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.069 -3.275 -3.301 0.00 0.00 -0.166 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 32 C LIG 1 4.653 1.225 -0.301 0.00 0.00 +0.119 C BRANCH 32 37 ATOM 33 C LIG 1 7.859 0.704 1.679 0.00 0.00 +0.132 C ATOM 34 O LIG 1 7.299 0.839 3.001 0.00 0.00 -0.374 OA ATOM 35 C LIG 1 5.896 1.121 3.012 0.00 0.00 +0.175 C ATOM 36 C LIG 1 5.114 0.338 1.945 0.00 0.00 +0.113 C ATOM 37 N LIG 1 5.614 0.530 0.565 0.00 0.00 -0.294 NA ATOM 38 C LIG 1 6.911 1.231 0.575 0.00 0.00 +0.116 C BRANCH 33 40 ATOM 39 C LIG 1 9.021 -1.042 0.206 0.00 0.00 +0.006 C ATOM 40 C LIG 1 8.295 -0.761 1.510 0.00 0.00 +0.029 C ENDBRANCH 33 40 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 7