REMARK Name = BDB041323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.926 -0.189 -0.183 0.00 0.00 +0.008 A ATOM 2 C LIG 1 -0.398 1.149 -0.443 0.00 0.00 +0.001 A ATOM 3 C LIG 1 1.035 1.290 -0.690 0.00 0.00 +0.039 A ATOM 4 C LIG 1 1.572 2.504 -0.885 0.00 0.00 +0.097 A ATOM 5 N LIG 1 0.774 3.621 -0.881 0.00 0.00 -0.328 N ATOM 6 H LIG 1 1.173 4.540 -1.031 0.00 0.00 +0.168 HD ATOM 7 C LIG 1 -0.584 3.590 -0.684 0.00 0.00 +0.249 A ATOM 8 O LIG 1 -1.276 4.601 -0.692 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 1.853 0.013 -0.689 0.00 0.00 +0.128 A ATOM 10 N LIG 1 1.299 -1.147 -0.430 0.00 0.00 -0.239 NA ATOM 11 C LIG 1 -1.176 2.250 -0.448 0.00 0.00 +0.079 A ATOM 12 C LIG 1 -0.054 -1.216 -0.187 0.00 0.00 +0.122 A ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 -5.047 -1.057 0.631 0.00 0.00 -0.033 A ATOM 14 C LIG 1 -4.555 -1.096 -0.683 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.212 -0.818 -0.949 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -2.339 -0.502 0.098 0.00 0.00 -0.016 A ATOM 17 C LIG 1 -2.822 -0.467 1.411 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -4.166 -0.744 1.675 0.00 0.00 +0.005 A BRANCH 13 19 ATOM 19 C LIG 1 -6.502 -1.370 0.915 0.00 0.00 +0.119 C BRANCH 19 21 ATOM 20 C LIG 1 -7.398 0.871 0.641 0.00 0.00 +0.104 C ATOM 21 N LIG 1 -7.444 -0.516 0.170 0.00 0.00 -0.304 NA ATOM 22 C LIG 1 -8.805 -1.040 0.299 0.00 0.00 +0.104 C ENDBRANCH 19 21 ENDBRANCH 13 19 ENDBRANCH 1 16 BRANCH 9 23 ATOM 23 N LIG 1 3.209 0.042 -0.962 0.00 0.00 -0.324 N ATOM 24 H LIG 1 3.521 0.795 -1.562 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 3.961 -1.183 -1.180 0.00 0.00 +0.141 C BRANCH 25 26 ATOM 26 C LIG 1 5.429 -0.866 -1.204 0.00 0.00 +0.012 A ATOM 27 C LIG 1 6.125 -0.491 -0.058 0.00 0.00 +0.005 A ATOM 28 C LIG 1 5.637 -0.277 1.326 0.00 0.00 +0.080 C ATOM 29 C LIG 1 6.981 -0.190 2.049 0.00 0.00 +0.234 C ATOM 30 O LIG 1 8.004 0.193 1.100 0.00 0.00 -0.491 OA ATOM 31 C LIG 1 7.476 -0.175 -0.110 0.00 0.00 +0.124 A ATOM 32 C LIG 1 8.196 -0.212 -1.287 0.00 0.00 +0.049 A ATOM 33 C LIG 1 7.523 -0.593 -2.448 0.00 0.00 +0.042 A ATOM 34 C LIG 1 6.159 -0.914 -2.398 0.00 0.00 +0.129 A ATOM 35 F LIG 1 5.544 -1.257 -3.540 0.00 0.00 -0.205 F ENDBRANCH 25 26 ENDBRANCH 23 25 ENDBRANCH 9 23 TORSDOF 6