REMARK Name = BDB036034 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.041 0.158 -1.160 0.00 0.00 -0.026 A ATOM 2 C LIG 1 -3.469 1.386 -0.575 0.00 0.00 +0.018 A ATOM 3 C LIG 1 -2.615 2.203 0.193 0.00 0.00 +0.061 A ATOM 4 C LIG 1 -1.308 1.767 0.364 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.180 2.398 1.113 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.929 1.478 0.898 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.531 0.370 0.142 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.141 -0.625 -0.204 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.882 0.573 -0.203 0.00 0.00 +0.043 A ATOM 10 C LIG 1 -1.710 -0.241 -0.959 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 2.229 1.726 1.419 0.00 0.00 +0.037 A ATOM 12 C LIG 1 3.320 0.903 1.095 0.00 0.00 +0.028 A ATOM 13 C LIG 1 4.626 1.102 1.600 0.00 0.00 -0.032 A ATOM 14 C LIG 1 4.790 2.193 2.473 0.00 0.00 +0.005 A ATOM 15 C LIG 1 3.733 3.039 2.801 0.00 0.00 +0.002 A ATOM 16 C LIG 1 2.463 2.809 2.273 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 5.870 0.134 1.229 0.00 0.00 +0.056 C ATOM 18 C LIG 1 5.863 -0.662 -0.123 0.00 0.00 +0.026 C ATOM 19 C LIG 1 6.617 0.488 -0.671 0.00 0.00 -0.027 C ATOM 20 C LIG 1 6.137 1.441 -1.719 0.00 0.00 +0.007 C ATOM 21 C LIG 1 7.331 0.557 -1.978 0.00 0.00 +0.007 C ATOM 22 C LIG 1 7.154 0.848 0.663 0.00 0.00 +0.026 C BRANCH 17 23 ATOM 23 C LIG 1 6.187 -0.798 2.467 0.00 0.00 +0.144 A ATOM 24 N LIG 1 5.408 -1.800 2.977 0.00 0.00 -0.320 N ATOM 25 C LIG 1 4.123 -2.248 2.517 0.00 0.00 +0.151 C ATOM 26 C LIG 1 6.089 -2.298 4.045 0.00 0.00 +0.224 A ATOM 27 N LIG 1 7.217 -1.644 4.191 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 7.277 -0.693 3.200 0.00 0.00 -0.134 NA ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 -3.091 3.491 0.806 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.371 4.562 0.371 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -4.394 3.782 0.547 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.966 3.490 2.162 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 -4.050 -0.673 -2.000 0.00 0.00 +0.042 C ATOM 34 C LIG 1 -3.498 -2.060 -2.420 0.00 0.00 +0.033 C ATOM 35 C LIG 1 -4.266 0.133 -3.310 0.00 0.00 +0.033 C BRANCH 33 41 ATOM 36 C LIG 1 -8.959 -1.841 -1.907 0.00 0.00 +0.039 C ATOM 37 C LIG 1 -7.694 -1.577 -1.100 0.00 0.00 +0.129 C ATOM 38 O LIG 1 -7.400 -2.773 -0.361 0.00 0.00 -0.374 OA ATOM 39 C LIG 1 -6.008 -2.934 -0.069 0.00 0.00 +0.175 C ATOM 40 C LIG 1 -5.238 -1.606 0.006 0.00 0.00 +0.113 C ATOM 41 N LIG 1 -5.320 -0.808 -1.236 0.00 0.00 -0.289 NA ATOM 42 C LIG 1 -6.524 -1.153 -2.016 0.00 0.00 +0.116 C ENDBRANCH 33 41 ENDBRANCH 1 33 TORSDOF 6