REMARK Name = BDB010278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.154 -1.093 -0.612 0.00 0.00 +0.202 A ATOM 2 N LIG 1 -0.048 -0.283 -0.412 0.00 0.00 -0.303 N ATOM 3 C LIG 1 0.955 -1.063 0.126 0.00 0.00 +0.130 A ATOM 4 C LIG 1 0.403 -2.334 0.146 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.043 -3.436 0.567 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 2.295 -3.159 0.974 0.00 0.00 +0.242 A ATOM 7 N LIG 1 2.909 -1.960 1.010 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 2.253 -0.861 0.589 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.876 -2.341 -0.315 0.00 0.00 -0.194 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 3.076 -4.357 1.443 0.00 0.00 +0.375 C ATOM 11 O LIG 1 4.225 -4.351 1.849 0.00 0.00 -0.242 OA BRANCH 10 12 ATOM 12 O LIG 1 2.325 -5.492 1.354 0.00 0.00 -0.475 OA ATOM 13 H LIG 1 1.430 -5.278 0.999 0.00 0.00 +0.296 HD ENDBRANCH 10 12 ENDBRANCH 6 10 BRANCH 8 14 ATOM 14 N LIG 1 2.857 0.373 0.685 0.00 0.00 -0.324 N ATOM 15 H LIG 1 2.413 1.178 0.275 0.00 0.00 +0.148 HD BRANCH 14 16 ATOM 16 C LIG 1 4.297 0.483 0.906 0.00 0.00 +0.072 C ATOM 17 C LIG 1 4.544 1.760 1.714 0.00 0.00 +0.028 C BRANCH 16 18 ATOM 18 C LIG 1 5.035 0.578 -0.430 0.00 0.00 +0.009 C ATOM 19 C LIG 1 6.590 0.544 -0.384 0.00 0.00 +0.005 C ATOM 20 C LIG 1 6.539 -0.238 -1.712 0.00 0.00 +0.001 C ATOM 21 C LIG 1 5.136 -0.717 -1.288 0.00 0.00 +0.005 C ENDBRANCH 16 18 ENDBRANCH 14 16 ENDBRANCH 8 14 BRANCH 1 22 ATOM 22 N LIG 1 -2.322 -0.613 -1.135 0.00 0.00 -0.294 N BRANCH 22 23 ATOM 23 C LIG 1 -3.187 0.156 -0.193 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -3.788 1.354 -0.943 0.00 0.00 +0.033 C BRANCH 23 25 ATOM 25 C LIG 1 -4.198 -0.722 0.544 0.00 0.00 -0.025 A ATOM 26 C LIG 1 -5.570 -0.721 0.246 0.00 0.00 +0.043 A ATOM 27 C LIG 1 -6.445 -1.546 0.951 0.00 0.00 +0.124 A ATOM 28 F LIG 1 -7.750 -1.528 0.647 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -5.991 -2.384 1.959 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -4.635 -2.403 2.268 0.00 0.00 +0.003 A ATOM 31 C LIG 1 -3.749 -1.579 1.567 0.00 0.00 +0.005 A ENDBRANCH 23 25 ENDBRANCH 22 23 BRANCH 22 32 ATOM 32 C LIG 1 -3.036 -1.550 -2.032 0.00 0.00 +0.108 C BRANCH 32 34 ATOM 33 C LIG 1 -3.046 -2.599 -4.326 0.00 0.00 +0.005 C ATOM 34 C LIG 1 -2.283 -1.710 -3.357 0.00 0.00 +0.016 C ENDBRANCH 32 34 ENDBRANCH 22 32 ENDBRANCH 1 22 BRANCH 2 35 ATOM 35 C LIG 1 0.093 1.073 -0.923 0.00 0.00 +0.160 C BRANCH 35 36 ATOM 36 C LIG 1 -0.154 2.175 0.085 0.00 0.00 -0.028 A ATOM 37 C LIG 1 -0.093 1.997 1.474 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -0.304 3.071 2.345 0.00 0.00 +0.013 A ATOM 39 C LIG 1 -0.568 4.354 1.851 0.00 0.00 +0.055 A ATOM 40 C LIG 1 -0.627 4.540 0.464 0.00 0.00 +0.013 A ATOM 41 C LIG 1 -0.414 3.467 -0.405 0.00 0.00 +0.006 A BRANCH 39 42 ATOM 42 C LIG 1 -0.820 5.507 2.793 0.00 0.00 +0.417 C ATOM 43 F LIG 1 -2.140 5.644 3.098 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -0.170 5.378 3.982 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -0.426 6.707 2.282 0.00 0.00 -0.166 F ENDBRANCH 39 42 ENDBRANCH 35 36 ENDBRANCH 2 35 TORSDOF 13