REMARK Name = BDB001073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.263 0.332 -0.163 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -1.268 1.162 -1.280 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.271 2.030 -1.501 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -2.319 1.107 -2.189 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -3.388 0.236 -1.967 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -3.423 -0.575 -0.820 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -2.344 -0.527 0.075 0.00 0.00 +0.020 A ENDROOT BRANCH 1 9 ATOM 8 O LIG 1 -0.503 0.601 2.003 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 -0.179 0.390 0.835 0.00 0.00 +0.249 C ATOM 10 N LIG 1 1.135 0.171 0.439 0.00 0.00 -0.294 N ATOM 11 C LIG 1 2.189 0.309 1.445 0.00 0.00 +0.127 C ATOM 12 C LIG 1 3.565 0.588 0.827 0.00 0.00 +0.127 C ATOM 13 N LIG 1 3.947 -0.398 -0.194 0.00 0.00 -0.298 N ATOM 14 C LIG 1 5.239 -0.595 -0.668 0.00 0.00 +0.219 C ATOM 15 O LIG 1 5.478 -1.421 -1.550 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 2.851 -1.152 -0.813 0.00 0.00 +0.127 C ATOM 17 C LIG 1 1.543 -0.351 -0.874 0.00 0.00 +0.127 C BRANCH 14 18 ATOM 18 C LIG 1 6.362 0.219 -0.015 0.00 0.00 +0.075 C ATOM 19 C LIG 1 6.799 -0.442 1.298 0.00 0.00 +0.013 C ATOM 20 C LIG 1 7.998 -1.294 0.910 0.00 0.00 +0.001 C ATOM 21 C LIG 1 8.736 -0.416 -0.082 0.00 0.00 +0.001 C ATOM 22 C LIG 1 7.638 0.286 -0.876 0.00 0.00 +0.013 C ENDBRANCH 14 18 ENDBRANCH 1 9 BRANCH 6 23 ATOM 23 C LIG 1 -4.585 -1.508 -0.563 0.00 0.00 +0.093 C BRANCH 23 24 ATOM 24 C LIG 1 -5.944 -0.825 -0.659 0.00 0.00 +0.074 A ATOM 25 C LIG 1 -6.430 0.029 0.456 0.00 0.00 +0.011 A ATOM 26 C LIG 1 -7.675 0.634 0.295 0.00 0.00 +0.050 A ATOM 27 C LIG 1 -8.206 1.457 1.297 0.00 0.00 +0.014 A ATOM 28 C LIG 1 -7.482 1.676 2.467 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -6.236 1.074 2.636 0.00 0.00 +0.001 A ATOM 30 C LIG 1 -8.434 0.399 -0.944 0.00 0.00 +0.272 A ATOM 31 O LIG 1 -9.534 0.909 -1.128 0.00 0.00 -0.266 OA ATOM 32 N LIG 1 -7.838 -0.420 -1.871 0.00 0.00 -0.242 N ATOM 33 H LIG 1 -8.350 -0.595 -2.731 0.00 0.00 +0.192 HD ATOM 34 C LIG 1 -5.709 0.250 1.635 0.00 0.00 +0.010 A ATOM 35 N LIG 1 -6.626 -1.022 -1.749 0.00 0.00 -0.175 NA ENDBRANCH 23 24 ENDBRANCH 6 23 TORSDOF 4