REMARK Name = BDB035311 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.107 -0.105 0.403 0.00 0.00 +0.077 A ATOM 2 N LIG 1 -1.778 0.055 0.561 0.00 0.00 -0.212 NA ATOM 3 C LIG 1 -1.253 1.283 0.488 0.00 0.00 +0.239 A ATOM 4 N LIG 1 -2.017 2.370 0.273 0.00 0.00 -0.216 NA ATOM 5 C LIG 1 -3.352 2.223 0.137 0.00 0.00 +0.050 A ATOM 6 C LIG 1 -3.939 0.978 0.224 0.00 0.00 +0.052 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.146 1.467 0.640 0.00 0.00 -0.234 N ATOM 8 C LIG 1 0.969 0.395 0.988 0.00 0.00 +0.285 A ATOM 9 O LIG 1 0.642 -0.758 1.251 0.00 0.00 -0.265 OA ATOM 10 C LIG 1 2.344 0.786 1.055 0.00 0.00 +0.131 A ATOM 11 C LIG 1 2.783 2.056 0.841 0.00 0.00 +0.096 A ATOM 12 C LIG 1 4.176 2.091 0.981 0.00 0.00 +0.052 A ATOM 13 C LIG 1 4.574 0.797 1.292 0.00 0.00 +0.033 A ATOM 14 N LIG 1 1.930 3.107 0.533 0.00 0.00 -0.235 NA ATOM 15 N LIG 1 3.437 0.013 1.334 0.00 0.00 -0.351 N ATOM 16 H LIG 1 3.404 -0.981 1.527 0.00 0.00 +0.166 HD ATOM 17 C LIG 1 0.681 2.739 0.451 0.00 0.00 +0.210 A BRANCH 13 18 ATOM 18 C LIG 1 5.933 0.235 1.554 0.00 0.00 +0.138 C BRANCH 18 19 ATOM 19 N LIG 1 6.712 0.184 0.326 0.00 0.00 -0.294 NA ATOM 20 C LIG 1 8.160 -0.033 0.510 0.00 0.00 +0.057 C ATOM 21 C LIG 1 8.558 -0.276 -0.944 0.00 0.00 +0.023 C ATOM 22 C LIG 1 7.606 -1.460 -1.087 0.00 0.00 +0.005 C ATOM 23 C LIG 1 8.097 -2.391 0.036 0.00 0.00 +0.006 C ATOM 24 C LIG 1 8.480 -1.400 1.145 0.00 0.00 +0.019 C ATOM 25 C LIG 1 6.274 -0.835 -0.646 0.00 0.00 +0.088 C ENDBRANCH 18 19 ENDBRANCH 13 18 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -4.560 -2.072 -0.349 0.00 0.00 +0.049 A ATOM 27 C LIG 1 -3.582 -1.502 0.498 0.00 0.00 +0.013 A ATOM 28 C LIG 1 -3.033 -2.340 1.495 0.00 0.00 +0.013 A ATOM 29 C LIG 1 -3.449 -3.664 1.655 0.00 0.00 +0.039 A ATOM 30 C LIG 1 -4.418 -4.182 0.811 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -4.817 -5.451 0.960 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -4.975 -3.405 -0.193 0.00 0.00 +0.052 A BRANCH 26 34 ATOM 33 O LIG 1 -4.410 -0.810 -2.322 0.00 0.00 -0.270 OA ATOM 34 C LIG 1 -5.144 -1.316 -1.482 0.00 0.00 +0.248 C ATOM 35 N LIG 1 -6.517 -1.222 -1.519 0.00 0.00 -0.292 N ATOM 36 C LIG 1 -7.282 -0.261 -2.308 0.00 0.00 +0.146 C ATOM 37 C LIG 1 -8.072 0.044 -1.026 0.00 0.00 +0.200 C ATOM 38 F LIG 1 -7.725 1.186 -0.380 0.00 0.00 -0.242 F ATOM 39 C LIG 1 -7.487 -1.248 -0.432 0.00 0.00 +0.146 C ENDBRANCH 26 34 ENDBRANCH 1 27 BRANCH 5 40 ATOM 40 C LIG 1 -4.191 3.456 -0.096 0.00 0.00 +0.038 C ATOM 41 C LIG 1 -5.026 3.577 -1.351 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -3.806 4.432 -1.185 0.00 0.00 +0.010 C ENDBRANCH 5 40 TORSDOF 6