REMARK Name = BDB033626 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.460 -0.366 -0.912 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.800 0.838 -0.289 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.857 1.466 0.512 0.00 0.00 -0.038 A ATOM 4 C LIG 1 4.028 2.727 1.302 0.00 0.00 +0.040 C ATOM 5 C LIG 1 2.571 3.099 1.623 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.789 1.777 1.650 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.334 1.942 1.303 0.00 0.00 +0.273 C ATOM 8 O LIG 1 -0.143 2.424 0.286 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.363 1.442 2.354 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.474 0.986 3.309 0.00 0.00 +0.411 C ATOM 11 O LIG 1 0.144 0.462 4.361 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.772 1.216 2.962 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.589 0.913 0.718 0.00 0.00 +0.008 A ATOM 14 C LIG 1 2.243 -0.290 0.124 0.00 0.00 +0.010 A ATOM 15 C LIG 1 3.184 -0.923 -0.695 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 8.501 -1.520 -3.450 0.00 0.00 +0.129 C ATOM 17 N LIG 1 7.176 -1.717 -2.916 0.00 0.00 -0.302 N ATOM 18 H LIG 1 6.975 -2.639 -2.560 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 6.572 -0.688 -2.214 0.00 0.00 +0.304 C ATOM 20 N LIG 1 5.341 -1.089 -1.741 0.00 0.00 -0.269 N ATOM 21 H LIG 1 4.976 -1.930 -2.161 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 7.095 0.409 -2.074 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.797 1.270 2.371 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.150 -0.064 1.696 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.504 -0.377 1.529 0.00 0.00 -0.284 N ATOM 26 O LIG 1 -1.258 -0.813 1.285 0.00 0.00 -0.274 OA BRANCH 25 27 ATOM 27 C LIG 1 -4.615 0.380 2.192 0.00 0.00 +0.177 C ATOM 28 C LIG 1 -5.859 0.521 1.313 0.00 0.00 +0.037 C BRANCH 27 29 ATOM 29 C LIG 1 -5.000 -0.176 3.580 0.00 0.00 +0.408 C ATOM 30 F LIG 1 -5.565 -1.400 3.498 0.00 0.00 -0.169 F ATOM 31 F LIG 1 -5.879 0.644 4.199 0.00 0.00 -0.169 F ATOM 32 F LIG 1 -3.911 -0.272 4.375 0.00 0.00 -0.169 F ENDBRANCH 27 29 ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 C LIG 1 -3.813 -1.675 0.907 0.00 0.00 +0.143 C BRANCH 33 34 ATOM 34 C LIG 1 -4.186 -1.561 -0.556 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -3.348 -0.901 -1.471 0.00 0.00 +0.008 A ATOM 36 C LIG 1 -3.695 -0.816 -2.820 0.00 0.00 +0.038 A ATOM 37 C LIG 1 -4.875 -1.400 -3.263 0.00 0.00 +0.123 A ATOM 38 F LIG 1 -5.208 -1.318 -4.557 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -5.711 -2.074 -2.382 0.00 0.00 +0.038 A ATOM 40 C LIG 1 -5.365 -2.160 -1.032 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 7