REMARK Name = BDB013140 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.387 0.100 -0.038 0.00 0.00 +0.048 A ATOM 2 C LIG 1 1.482 -0.377 -1.022 0.00 0.00 +0.173 A ATOM 3 N LIG 1 0.142 -0.283 -0.737 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -0.498 -0.745 -1.848 0.00 0.00 +0.232 A ATOM 5 N LIG 1 0.383 -1.139 -2.740 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -0.349 0.247 0.460 0.00 0.00 +0.203 A ATOM 7 N LIG 1 0.483 0.728 1.343 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 1.637 -0.905 -2.218 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 1.836 0.641 1.071 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 6.574 0.202 -0.616 0.00 0.00 +0.216 A ATOM 11 N LIG 1 5.775 0.937 -1.415 0.00 0.00 -0.221 NA ATOM 12 C LIG 1 4.442 0.853 -1.193 0.00 0.00 +0.124 A ATOM 13 C LIG 1 3.854 0.087 -0.189 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.727 -0.663 0.608 0.00 0.00 +0.055 A ATOM 15 CL LIG 1 4.154 -1.708 1.863 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 6.103 -0.607 0.399 0.00 0.00 +0.087 A BRANCH 10 18 ATOM 17 C LIG 1 8.350 1.058 -1.877 0.00 0.00 +0.279 C ATOM 18 O LIG 1 7.942 0.235 -0.787 0.00 0.00 -0.480 OA ENDBRANCH 10 18 ENDBRANCH 1 13 BRANCH 6 19 ATOM 19 N LIG 1 -1.703 0.299 0.711 0.00 0.00 -0.310 N ATOM 20 H LIG 1 -1.830 0.901 1.527 0.00 0.00 +0.149 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.429 -0.944 0.971 0.00 0.00 +0.143 C BRANCH 21 22 ATOM 22 C LIG 1 -3.854 -0.639 1.331 0.00 0.00 +0.012 A ATOM 23 C LIG 1 -4.744 -0.037 0.446 0.00 0.00 +0.005 A ATOM 24 C LIG 1 -4.531 0.475 -0.929 0.00 0.00 +0.080 C ATOM 25 C LIG 1 -5.985 0.705 -1.341 0.00 0.00 +0.234 C ATOM 26 O LIG 1 -6.793 0.855 -0.151 0.00 0.00 -0.491 OA ATOM 27 C LIG 1 -6.052 0.243 0.825 0.00 0.00 +0.124 A ATOM 28 C LIG 1 -6.537 -0.057 2.082 0.00 0.00 +0.049 A ATOM 29 C LIG 1 -5.669 -0.674 2.981 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -4.350 -0.959 2.603 0.00 0.00 +0.129 A ATOM 31 F LIG 1 -3.545 -1.548 3.499 0.00 0.00 -0.205 F ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 6 19 TORSDOF 5