REMARK Name = BDB009415 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.736 -0.880 0.431 0.00 0.00 +0.072 A ATOM 2 C LIG 1 -0.869 -1.878 1.392 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.191 -3.030 1.292 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.716 -1.696 2.480 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -2.457 -0.517 2.596 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.371 0.482 1.613 0.00 0.00 -0.041 A ATOM 7 C LIG 1 -1.494 0.294 0.533 0.00 0.00 +0.020 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 5.317 -0.261 -2.225 0.00 0.00 +0.266 C ATOM 9 N LIG 1 4.056 0.051 -1.686 0.00 0.00 -0.295 N ATOM 10 C LIG 1 2.872 -0.394 -2.428 0.00 0.00 +0.127 C ATOM 11 C LIG 1 2.251 -1.653 -1.804 0.00 0.00 +0.127 C ATOM 12 N LIG 1 1.486 -1.343 -0.589 0.00 0.00 -0.296 N ATOM 13 C LIG 1 0.128 -1.058 -0.750 0.00 0.00 +0.249 C ATOM 14 O LIG 1 -0.402 -0.907 -1.851 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 2.199 -1.216 0.688 0.00 0.00 +0.109 C ATOM 16 C LIG 1 3.642 -0.708 0.623 0.00 0.00 +0.038 C ATOM 17 C LIG 1 3.816 0.488 -0.311 0.00 0.00 +0.110 C ATOM 18 O LIG 1 5.420 -0.665 -3.386 0.00 0.00 -0.268 OA BRANCH 8 22 ATOM 19 C LIG 1 10.096 0.016 -0.874 0.00 0.00 +0.150 C ATOM 20 N LIG 1 8.656 -0.013 -0.843 0.00 0.00 -0.339 N ATOM 21 C LIG 1 7.826 -0.136 -1.916 0.00 0.00 +0.119 A ATOM 22 C LIG 1 6.537 -0.115 -1.406 0.00 0.00 +0.143 A ATOM 23 N LIG 1 6.605 -0.002 -0.024 0.00 0.00 -0.231 NA ATOM 24 C LIG 1 7.882 0.064 0.275 0.00 0.00 +0.199 A ENDBRANCH 8 22 ENDBRANCH 1 13 BRANCH 6 25 ATOM 25 C LIG 1 -3.178 1.757 1.723 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -4.669 1.520 1.947 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -5.564 1.268 0.774 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -5.011 1.210 -0.623 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -6.002 0.648 -1.648 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -7.400 1.212 -1.432 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -7.910 0.885 -0.028 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -6.871 1.100 1.038 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -7.359 1.134 2.440 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -8.542 0.969 2.718 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -6.409 1.359 3.399 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -6.724 1.391 4.362 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -5.083 1.559 3.180 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4