REMARK Name = BDB040237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.104 -0.688 0.943 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.196 -1.249 1.614 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.283 -1.798 2.697 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.369 -1.064 0.751 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.677 -1.453 0.978 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.632 -1.158 -0.006 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.232 -0.480 -1.183 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.895 -0.092 -1.398 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.972 -0.401 -0.402 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.505 -0.125 -0.339 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.617 0.053 1.015 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -2.249 -0.024 0.634 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -1.244 -0.652 1.400 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.625 -1.231 2.607 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.952 -1.186 3.027 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.922 -0.554 2.246 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.711 0.829 0.068 0.00 0.00 +0.013 C ATOM 18 C LIG 1 -4.300 2.303 -0.301 0.00 0.00 +0.087 C ATOM 19 C LIG 1 -4.791 2.045 -1.741 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -6.058 2.448 -1.998 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -4.016 2.554 -2.723 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -4.629 0.537 -1.475 0.00 0.00 +0.087 C BRANCH 17 23 ATOM 23 C LIG 1 -6.160 0.814 0.630 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -8.734 0.422 -1.095 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -8.029 -0.600 -0.369 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.895 -0.464 0.395 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -6.589 -1.648 0.887 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -7.513 -2.559 0.439 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -8.371 -1.915 -0.314 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 2.470 0.630 -2.648 0.00 0.00 +0.418 C ATOM 31 F LIG 1 3.491 0.881 -3.511 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.902 1.837 -2.375 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.538 -0.067 -3.354 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 6.079 -1.549 0.197 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 6.774 -0.739 1.199 0.00 0.00 -0.312 NA ATOM 36 H LIG 1 6.245 -0.778 2.070 0.00 0.00 +0.122 HD BRANCH 35 37 ATOM 37 C LIG 1 6.984 0.664 0.831 0.00 0.00 +0.089 C BRANCH 37 38 ATOM 38 C LIG 1 8.004 0.825 -0.282 0.00 0.00 +0.054 C ATOM 39 C LIG 1 8.527 2.252 -0.492 0.00 0.00 +0.166 C ATOM 40 O LIG 1 9.900 1.791 -0.458 0.00 0.00 -0.379 OA ATOM 41 C LIG 1 9.466 0.506 0.056 0.00 0.00 +0.166 C ENDBRANCH 37 38 ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9