REMARK Name = BDB027266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.739 0.402 -0.518 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.530 0.401 0.194 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.402 1.364 1.204 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.337 2.281 1.548 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.492 2.283 0.853 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.715 1.367 -0.178 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.481 3.304 1.260 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -4.382 3.883 0.348 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -5.301 4.845 0.766 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -6.144 5.375 -0.132 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -5.344 5.256 2.090 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -6.230 6.180 2.484 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -4.465 4.713 3.015 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -3.541 3.748 2.600 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 15 ATOM 15 N LIG 1 0.537 -0.459 -0.023 0.00 0.00 -0.326 N ATOM 16 C LIG 1 1.421 -0.169 -1.156 0.00 0.00 +0.136 C ATOM 17 C LIG 1 2.827 -0.804 -0.969 0.00 0.00 +0.109 C ATOM 18 C LIG 1 2.715 -2.264 -0.476 0.00 0.00 +0.034 C ATOM 19 C LIG 1 1.781 -2.400 0.729 0.00 0.00 +0.021 C ATOM 20 C LIG 1 0.395 -1.844 0.411 0.00 0.00 +0.105 C BRANCH 17 21 ATOM 21 C LIG 1 3.682 0.043 0.025 0.00 0.00 +0.235 C ATOM 22 N LIG 1 5.018 -0.332 0.032 0.00 0.00 -0.309 N ATOM 23 H LIG 1 5.294 -0.799 -0.831 0.00 0.00 +0.149 HD ATOM 24 O LIG 1 3.250 0.957 0.720 0.00 0.00 -0.274 OA BRANCH 22 25 ATOM 25 C LIG 1 6.010 0.469 0.738 0.00 0.00 +0.101 C ATOM 26 C LIG 1 6.401 1.722 -0.038 0.00 0.00 +0.182 C ATOM 27 O LIG 1 7.454 1.336 -0.940 0.00 0.00 -0.378 OA ATOM 28 C LIG 1 7.984 0.076 -0.503 0.00 0.00 +0.162 C ATOM 29 C LIG 1 7.334 -0.255 0.825 0.00 0.00 +0.052 C ENDBRANCH 22 25 ENDBRANCH 17 21 BRANCH 17 30 ATOM 30 N LIG 1 3.591 -0.835 -2.260 0.00 0.00 -0.316 NA ATOM 31 H LIG 1 3.055 -1.355 -2.955 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 3.659 0.121 -2.620 0.00 0.00 +0.119 HD ENDBRANCH 17 30 ENDBRANCH 2 15 BRANCH 1 33 ATOM 33 C LIG 1 -2.005 -0.532 -1.674 0.00 0.00 +0.161 C BRANCH 33 38 ATOM 34 C LIG 1 -5.445 -3.679 -0.334 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -4.884 -2.606 -1.048 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -5.395 -1.762 -2.014 0.00 0.00 -0.231 NA ATOM 37 C LIG 1 -4.397 -0.959 -2.318 0.00 0.00 +0.202 A ATOM 38 N LIG 1 -3.280 -1.224 -1.569 0.00 0.00 -0.310 N ATOM 39 C LIG 1 -3.565 -2.290 -0.761 0.00 0.00 +0.166 A ATOM 40 N LIG 1 -2.758 -2.901 0.121 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -3.408 -3.897 0.756 0.00 0.00 +0.225 A ATOM 42 N LIG 1 -4.683 -4.310 0.588 0.00 0.00 -0.219 NA BRANCH 34 43 ATOM 43 N LIG 1 -6.752 -4.113 -0.514 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -7.353 -3.414 -0.935 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -7.102 -4.608 0.295 0.00 0.00 +0.144 HD ENDBRANCH 34 43 ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 8