REMARK Name = BDB027268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.385 -0.893 1.177 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -2.675 -0.350 1.278 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -3.785 -1.206 1.147 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -3.604 -2.571 0.929 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -2.367 -3.113 0.865 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.307 -2.276 0.979 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.726 -3.516 0.756 0.00 0.00 +0.003 A ATOM 8 C LIG 1 -5.940 -3.132 0.156 0.00 0.00 +0.051 A ATOM 9 C LIG 1 -6.981 -4.047 0.004 0.00 0.00 +0.159 A ATOM 10 F LIG 1 -8.123 -3.646 -0.571 0.00 0.00 -0.202 F ATOM 11 C LIG 1 -6.841 -5.357 0.439 0.00 0.00 +0.158 A ATOM 12 F LIG 1 -7.846 -6.230 0.291 0.00 0.00 -0.202 F ATOM 13 C LIG 1 -5.655 -5.772 1.027 0.00 0.00 +0.042 A ATOM 14 C LIG 1 -4.607 -4.858 1.180 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 1.742 0.905 -0.032 0.00 0.00 +0.110 C ATOM 16 C LIG 1 0.427 0.035 -0.078 0.00 0.00 +0.136 C ATOM 17 N LIG 1 -0.252 -0.048 1.252 0.00 0.00 -0.326 N ATOM 18 C LIG 1 0.688 -0.459 2.308 0.00 0.00 +0.105 C ATOM 19 C LIG 1 1.713 0.654 2.529 0.00 0.00 +0.021 C ATOM 20 C LIG 1 1.869 1.609 1.338 0.00 0.00 +0.034 C BRANCH 15 24 ATOM 21 C LIG 1 5.942 -0.921 0.634 0.00 0.00 +0.028 C ATOM 22 C LIG 1 5.365 -0.459 -0.709 0.00 0.00 +0.073 C ATOM 23 N LIG 1 4.262 0.502 -0.507 0.00 0.00 -0.297 N ATOM 24 C LIG 1 2.993 -0.027 -0.244 0.00 0.00 +0.237 C ATOM 25 O LIG 1 2.861 -1.251 -0.106 0.00 0.00 -0.274 OA ATOM 26 C LIG 1 4.552 1.911 -0.810 0.00 0.00 +0.108 C ATOM 27 C LIG 1 5.981 2.301 -0.445 0.00 0.00 +0.019 C ATOM 28 C LIG 1 7.024 1.433 -1.143 0.00 0.00 +0.003 C ATOM 29 C LIG 1 6.454 0.105 -1.632 0.00 0.00 +0.022 C ENDBRANCH 15 24 BRANCH 15 30 ATOM 30 N LIG 1 1.677 1.926 -1.119 0.00 0.00 -0.316 NA ATOM 31 H LIG 1 0.833 2.494 -0.993 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 1.546 1.448 -2.011 0.00 0.00 +0.119 HD ENDBRANCH 15 30 ENDBRANCH 1 17 BRANCH 2 33 ATOM 33 C LIG 1 -2.913 1.120 1.522 0.00 0.00 +0.161 C BRANCH 33 34 ATOM 34 N LIG 1 -2.648 1.931 0.350 0.00 0.00 -0.310 N ATOM 35 C LIG 1 -3.331 1.912 -0.834 0.00 0.00 +0.166 A ATOM 36 C LIG 1 -2.677 2.840 -1.631 0.00 0.00 +0.147 A ATOM 37 C LIG 1 -3.170 3.008 -2.936 0.00 0.00 +0.147 A ATOM 38 N LIG 1 -4.220 2.253 -3.332 0.00 0.00 -0.219 NA ATOM 39 C LIG 1 -4.765 1.395 -2.442 0.00 0.00 +0.225 A ATOM 40 N LIG 1 -1.628 3.428 -0.948 0.00 0.00 -0.231 NA ATOM 41 N LIG 1 -4.393 1.159 -1.168 0.00 0.00 -0.216 NA ATOM 42 C LIG 1 -1.681 2.897 0.255 0.00 0.00 +0.202 A BRANCH 37 43 ATOM 43 N LIG 1 -2.624 3.900 -3.848 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -1.677 4.187 -3.629 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -2.842 3.658 -4.805 0.00 0.00 +0.144 HD ENDBRANCH 37 43 ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 7