REMARK Name = BDB029562 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.499 -1.778 0.577 0.00 0.00 +0.064 A ATOM 2 C LIG 1 3.615 -3.146 0.318 0.00 0.00 +0.148 A ATOM 3 F LIG 1 4.771 -3.773 0.591 0.00 0.00 -0.203 F ATOM 4 C LIG 1 2.573 -3.880 -0.237 0.00 0.00 +0.086 A ATOM 5 C LIG 1 1.345 -3.275 -0.543 0.00 0.00 +0.136 A ATOM 6 O LIG 1 0.481 -4.186 -1.079 0.00 0.00 -0.490 OA ATOM 7 C LIG 1 -0.845 -3.790 -1.392 0.00 0.00 +0.248 C ATOM 8 C LIG 1 -0.860 -2.589 -2.319 0.00 0.00 +0.149 C ATOM 9 N LIG 1 -0.941 -1.369 -1.537 0.00 0.00 -0.292 N ATOM 10 C LIG 1 -0.044 -1.069 -0.515 0.00 0.00 +0.250 C ATOM 11 O LIG 1 -0.187 -0.071 0.195 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 1.175 -1.910 -0.280 0.00 0.00 +0.080 A ATOM 13 C LIG 1 2.260 -1.192 0.296 0.00 0.00 +0.042 A ENDROOT BRANCH 1 14 ATOM 14 N LIG 1 4.560 -1.109 1.196 0.00 0.00 -0.339 N ATOM 15 H LIG 1 5.428 -1.635 1.086 0.00 0.00 +0.146 HD BRANCH 14 21 ATOM 16 C LIG 1 9.616 2.244 0.806 0.00 0.00 +0.109 C ATOM 17 C LIG 1 8.343 2.524 0.048 0.00 0.00 +0.212 C ATOM 18 N LIG 1 7.208 1.825 0.439 0.00 0.00 -0.302 N ATOM 19 C LIG 1 7.160 0.907 1.577 0.00 0.00 +0.109 C ATOM 20 C LIG 1 5.756 0.793 2.157 0.00 0.00 +0.041 C ATOM 21 C LIG 1 4.725 0.346 1.107 0.00 0.00 +0.073 C ATOM 22 C LIG 1 5.124 0.752 -0.320 0.00 0.00 +0.041 C ATOM 23 C LIG 1 5.976 2.012 -0.325 0.00 0.00 +0.109 C ATOM 24 O LIG 1 8.336 3.344 -0.870 0.00 0.00 -0.276 OA ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 9 25 ATOM 25 C LIG 1 -2.146 -0.533 -1.692 0.00 0.00 +0.140 C BRANCH 25 26 ATOM 26 C LIG 1 -3.423 -1.179 -1.109 0.00 0.00 +0.146 C BRANCH 26 27 ATOM 27 O LIG 1 -3.266 -1.481 0.282 0.00 0.00 -0.389 OA ATOM 28 H LIG 1 -4.117 -1.806 0.616 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 -4.695 -0.328 -1.368 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 -4.608 1.111 -1.065 0.00 0.00 -0.295 NA ATOM 31 C LIG 1 -5.834 1.827 -1.471 0.00 0.00 +0.120 C ATOM 32 C LIG 1 -7.008 1.659 -0.529 0.00 0.00 -0.030 A ATOM 33 C LIG 1 -6.806 1.322 0.822 0.00 0.00 -0.042 A ATOM 34 C LIG 1 -7.905 1.210 1.683 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -9.196 1.452 1.213 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -9.398 1.804 -0.120 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.417 1.021 1.332 0.00 0.00 +0.051 C ATOM 38 C LIG 1 -8.309 1.911 -0.987 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.315 1.431 0.344 0.00 0.00 +0.089 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 25 26 ENDBRANCH 9 25 TORSDOF 7