REMARK Name = BDB009990 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.339 -0.877 0.143 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.239 -1.700 -0.100 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.327 -3.063 0.122 0.00 0.00 +0.184 A ATOM 4 N LIG 1 0.844 -3.692 -0.156 0.00 0.00 -0.205 NA ATOM 5 C LIG 1 1.685 -2.758 -0.575 0.00 0.00 +0.181 A ATOM 6 N LIG 1 -1.431 -3.688 0.553 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -2.451 -2.847 0.725 0.00 0.00 +0.242 A ATOM 8 N LIG 1 1.042 -1.525 -0.591 0.00 0.00 -0.313 N ATOM 9 N LIG 1 -2.467 -1.496 0.542 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 3.081 -2.997 -0.971 0.00 0.00 +0.196 A ATOM 11 N LIG 1 3.970 -2.011 -0.747 0.00 0.00 -0.233 NA ATOM 12 C LIG 1 5.245 -2.283 -1.086 0.00 0.00 +0.115 A ATOM 13 C LIG 1 5.648 -3.477 -1.635 0.00 0.00 +0.039 A ATOM 14 C LIG 1 4.656 -4.409 -1.827 0.00 0.00 +0.115 A ATOM 15 N LIG 1 3.367 -4.195 -1.508 0.00 0.00 -0.233 NA ENDBRANCH 5 10 BRANCH 1 16 ATOM 16 N LIG 1 -1.291 0.497 -0.010 0.00 0.00 -0.324 N ATOM 17 H LIG 1 -0.404 0.869 0.319 0.00 0.00 +0.148 HD BRANCH 16 19 ATOM 18 C LIG 1 -2.738 1.356 1.817 0.00 0.00 +0.028 C ATOM 19 C LIG 1 -2.404 1.390 0.327 0.00 0.00 +0.072 C BRANCH 19 20 ATOM 20 C LIG 1 -3.647 1.160 -0.531 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -3.472 1.352 -2.064 0.00 0.00 +0.005 C ATOM 22 C LIG 1 -4.892 1.952 -2.079 0.00 0.00 +0.001 C ATOM 23 C LIG 1 -4.669 2.331 -0.601 0.00 0.00 +0.005 C ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 1 16 BRANCH 7 24 ATOM 24 C LIG 1 -3.763 -3.420 1.194 0.00 0.00 +0.375 C ATOM 25 O LIG 1 -4.003 -4.590 1.431 0.00 0.00 -0.242 OA BRANCH 24 26 ATOM 26 O LIG 1 -4.692 -2.429 1.332 0.00 0.00 -0.475 OA ATOM 27 H LIG 1 -4.279 -1.569 1.085 0.00 0.00 +0.296 HD ENDBRANCH 24 26 ENDBRANCH 7 24 BRANCH 8 28 ATOM 28 C LIG 1 1.550 -0.305 -1.211 0.00 0.00 +0.159 C BRANCH 28 29 ATOM 29 C LIG 1 2.000 0.755 -0.228 0.00 0.00 -0.028 A ATOM 30 C LIG 1 1.876 2.106 -0.592 0.00 0.00 +0.006 A ATOM 31 C LIG 1 2.283 3.124 0.274 0.00 0.00 +0.013 A ATOM 32 C LIG 1 2.833 2.816 1.526 0.00 0.00 +0.055 A ATOM 33 C LIG 1 2.986 1.469 1.880 0.00 0.00 +0.013 A ATOM 34 C LIG 1 2.577 0.451 1.013 0.00 0.00 +0.006 A BRANCH 32 35 ATOM 35 C LIG 1 3.298 3.914 2.451 0.00 0.00 +0.417 C ATOM 36 F LIG 1 3.253 3.562 3.766 0.00 0.00 -0.166 F ATOM 37 F LIG 1 4.583 4.288 2.205 0.00 0.00 -0.166 F ATOM 38 F LIG 1 2.550 5.048 2.346 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 8 28 TORSDOF 9