REMARK Name = BDB020754 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.539 0.230 -0.954 0.00 0.00 +0.043 A ATOM 2 C LIG 1 0.450 -0.714 -0.411 0.00 0.00 -0.017 A ATOM 3 C LIG 1 0.351 -2.138 -0.899 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.392 -0.242 0.458 0.00 0.00 +0.044 A ATOM 5 N LIG 1 1.406 1.157 0.736 0.00 0.00 -0.318 N ATOM 6 C LIG 1 0.506 2.069 0.170 0.00 0.00 +0.055 A ATOM 7 C LIG 1 0.810 3.345 0.620 0.00 0.00 +0.010 A ATOM 8 C LIG 1 1.902 3.218 1.511 0.00 0.00 +0.028 A ATOM 9 C LIG 1 2.249 1.888 1.552 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.502 1.548 -0.688 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 0.102 4.550 0.247 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -0.109 4.929 -1.063 0.00 0.00 +0.122 A ATOM 13 N LIG 1 -0.757 6.058 -1.429 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 -1.207 6.839 -0.429 0.00 0.00 +0.126 A ATOM 15 C LIG 1 -1.900 8.111 -0.804 0.00 0.00 +0.088 C ATOM 16 N LIG 1 -1.042 6.578 0.882 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 -0.388 5.434 1.186 0.00 0.00 +0.122 A ENDBRANCH 7 11 BRANCH 1 20 ATOM 18 N LIG 1 -2.595 -0.972 -1.139 0.00 0.00 -0.307 N ATOM 19 H LIG 1 -2.357 -1.315 -0.214 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 -1.689 -0.189 -1.806 0.00 0.00 +0.245 C ATOM 21 O LIG 1 -1.794 0.167 -2.972 0.00 0.00 -0.270 OA BRANCH 18 22 ATOM 22 C LIG 1 -3.679 -1.644 -1.823 0.00 0.00 +0.149 C BRANCH 22 24 ATOM 23 C LIG 1 -6.062 -1.171 -1.150 0.00 0.00 +0.132 A ATOM 24 C LIG 1 -4.862 -1.734 -0.917 0.00 0.00 +0.075 A ATOM 25 C LIG 1 -4.710 -2.549 0.325 0.00 0.00 +0.257 A ATOM 26 O LIG 1 -3.632 -3.045 0.643 0.00 0.00 -0.267 OA ATOM 27 N LIG 1 -5.829 -2.700 1.107 0.00 0.00 -0.326 N ATOM 28 H LIG 1 -5.705 -3.263 1.940 0.00 0.00 +0.169 HD ATOM 29 C LIG 1 -7.056 -2.146 0.827 0.00 0.00 +0.019 A ATOM 30 C LIG 1 -8.171 -2.431 1.783 0.00 0.00 +0.063 C ATOM 31 C LIG 1 -7.192 -1.393 -0.275 0.00 0.00 +0.067 A BRANCH 23 33 ATOM 32 C LIG 1 -6.071 0.945 -2.088 0.00 0.00 +0.277 C ATOM 33 O LIG 1 -6.346 -0.444 -2.286 0.00 0.00 -0.495 OA ENDBRANCH 23 33 ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 4 34 ATOM 34 C LIG 1 2.412 -1.161 1.154 0.00 0.00 +0.101 C ATOM 35 C LIG 1 2.012 -1.298 2.640 0.00 0.00 +0.031 C BRANCH 34 36 ATOM 36 N LIG 1 3.820 -0.761 0.942 0.00 0.00 -0.292 NA ATOM 37 C LIG 1 4.227 -0.765 -0.482 0.00 0.00 +0.100 C ATOM 38 C LIG 1 5.145 -1.945 -0.877 0.00 0.00 +0.100 C ATOM 39 N LIG 1 6.410 -1.971 -0.117 0.00 0.00 -0.292 NA ATOM 40 C LIG 1 6.232 -1.436 1.248 0.00 0.00 +0.100 C ATOM 41 C LIG 1 4.780 -1.518 1.771 0.00 0.00 +0.100 C BRANCH 39 42 ATOM 42 C LIG 1 7.031 -3.320 -0.113 0.00 0.00 +0.198 C BRANCH 42 43 ATOM 43 C LIG 1 7.320 -3.999 -1.469 0.00 0.00 +0.402 C ATOM 44 F LIG 1 7.998 -5.156 -1.275 0.00 0.00 -0.169 F ATOM 45 F LIG 1 8.069 -3.222 -2.280 0.00 0.00 -0.169 F ATOM 46 F LIG 1 6.179 -4.312 -2.124 0.00 0.00 -0.169 F ENDBRANCH 42 43 ENDBRANCH 39 42 ENDBRANCH 34 36 ENDBRANCH 4 34 TORSDOF 9