REMARK Name = BDB007807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.775 0.277 0.743 0.00 0.00 +0.168 A ATOM 2 C LIG 1 2.519 0.653 1.847 0.00 0.00 +0.172 A ATOM 3 N LIG 1 3.878 0.550 1.546 0.00 0.00 -0.204 NA ATOM 4 C LIG 1 3.906 0.146 0.291 0.00 0.00 +0.232 A ATOM 5 O LIG 1 2.666 -0.040 -0.252 0.00 0.00 -0.434 OA ENDROOT BRANCH 4 6 ATOM 6 C LIG 1 5.039 -0.140 -0.574 0.00 0.00 +0.081 A ATOM 7 C LIG 1 6.294 -0.449 0.012 0.00 0.00 +0.015 A ATOM 8 C LIG 1 7.380 -0.722 -0.829 0.00 0.00 +0.047 A ATOM 9 N LIG 1 8.468 -0.992 -0.026 0.00 0.00 -0.361 N ATOM 10 H LIG 1 9.390 -1.223 -0.369 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 8.116 -0.909 1.292 0.00 0.00 +0.083 A ATOM 12 C LIG 1 7.290 -0.704 -2.225 0.00 0.00 +0.029 A ATOM 13 C LIG 1 6.050 -0.395 -2.784 0.00 0.00 +0.041 A ATOM 14 C LIG 1 6.783 -0.578 1.349 0.00 0.00 +0.028 A ATOM 15 C LIG 1 4.953 -0.120 -1.975 0.00 0.00 +0.136 A ATOM 16 F LIG 1 3.797 0.190 -2.584 0.00 0.00 -0.205 F ENDBRANCH 4 6 BRANCH 1 20 ATOM 17 C LIG 1 -2.369 -0.161 -0.380 0.00 0.00 +0.030 A ATOM 18 C LIG 1 -1.929 -0.436 0.924 0.00 0.00 +0.024 A ATOM 19 C LIG 1 -0.586 -0.295 1.301 0.00 0.00 +0.013 A ATOM 20 C LIG 1 0.372 0.129 0.380 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -0.050 0.384 -0.931 0.00 0.00 +0.013 A ATOM 22 C LIG 1 -1.395 0.239 -1.303 0.00 0.00 +0.024 A BRANCH 17 29 ATOM 23 C LIG 1 -6.403 -1.123 0.687 0.00 0.00 +0.029 C ATOM 24 C LIG 1 -6.123 0.169 -0.108 0.00 0.00 +0.029 C ATOM 25 N LIG 1 -6.524 0.004 -1.530 0.00 0.00 -0.308 NA ATOM 26 H LIG 1 -7.450 -0.417 -1.578 0.00 0.00 +0.123 HD ATOM 27 C LIG 1 -5.571 -0.844 -2.268 0.00 0.00 +0.100 C ATOM 28 C LIG 1 -4.099 -0.401 -2.124 0.00 0.00 +0.120 C ATOM 29 N LIG 1 -3.725 -0.326 -0.698 0.00 0.00 -0.327 N ATOM 30 C LIG 1 -4.623 0.585 0.058 0.00 0.00 +0.126 C ATOM 31 C LIG 1 -7.008 1.289 0.466 0.00 0.00 +0.029 C ENDBRANCH 17 29 ENDBRANCH 1 20 BRANCH 2 32 ATOM 32 C LIG 1 2.062 1.129 3.144 0.00 0.00 +0.264 C ATOM 33 O LIG 1 0.894 1.309 3.469 0.00 0.00 -0.269 OA ATOM 34 N LIG 1 3.082 1.390 4.016 0.00 0.00 -0.324 N ATOM 35 H LIG 1 2.868 1.823 4.901 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 4.038 1.341 3.683 0.00 0.00 +0.145 HD ENDBRANCH 2 32 TORSDOF 4