REMARK Name = BDB035687 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.699 -0.407 0.573 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.531 -0.798 1.113 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.833 -1.186 2.227 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.529 -0.673 0.044 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.885 -0.940 0.096 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.636 -0.743 -1.070 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.995 -0.275 -2.243 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.613 -0.007 -2.278 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.894 -0.218 -1.105 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.563 -0.025 -0.829 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.299 -0.645 3.267 0.00 0.00 +0.122 A ATOM 12 C LIG 1 -2.067 -0.699 2.609 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -1.949 -0.356 1.254 0.00 0.00 +0.041 A ATOM 14 C LIG 1 -3.112 0.044 0.575 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -4.364 0.107 1.213 0.00 0.00 -0.031 A ATOM 16 C LIG 1 -4.437 -0.245 2.567 0.00 0.00 +0.050 A BRANCH 11 18 ATOM 17 C LIG 1 -2.389 -1.313 5.361 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -3.525 -0.959 4.580 0.00 0.00 -0.495 OA ENDBRANCH 11 18 BRANCH 15 19 ATOM 19 C LIG 1 -5.630 0.528 0.476 0.00 0.00 +0.094 C BRANCH 19 20 ATOM 20 C LIG 1 -5.735 -0.108 -0.883 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -6.109 -1.408 -1.118 0.00 0.00 -0.320 N ATOM 22 C LIG 1 -6.477 -2.408 -0.152 0.00 0.00 +0.151 C ATOM 23 C LIG 1 -6.037 -1.586 -2.465 0.00 0.00 +0.224 A ATOM 24 N LIG 1 -5.639 -0.473 -3.033 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -5.447 0.456 -2.041 0.00 0.00 -0.134 NA ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 C LIG 1 -5.792 2.048 0.380 0.00 0.00 +0.055 C ATOM 27 C LIG 1 -4.755 2.961 -0.297 0.00 0.00 +0.166 C ATOM 28 O LIG 1 -4.897 3.942 0.766 0.00 0.00 -0.379 OA ATOM 29 C LIG 1 -5.543 2.948 1.603 0.00 0.00 +0.166 C ENDBRANCH 19 26 ENDBRANCH 15 19 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 0.933 0.487 -3.527 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -0.034 -0.370 -3.954 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.313 1.683 -3.335 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.775 0.661 -4.581 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.128 -1.000 -1.075 0.00 0.00 +0.116 C BRANCH 34 35 ATOM 35 N LIG 1 5.859 0.268 -1.126 0.00 0.00 -0.307 NA ATOM 36 H LIG 1 5.488 0.878 -0.396 0.00 0.00 +0.123 HD BRANCH 35 37 ATOM 37 C LIG 1 7.317 0.074 -1.059 0.00 0.00 +0.017 C ATOM 38 C LIG 1 7.956 1.476 -0.817 0.00 0.00 +0.022 C ATOM 39 C LIG 1 8.827 0.818 0.274 0.00 0.00 +0.004 C ATOM 40 C LIG 1 7.745 -0.276 0.395 0.00 0.00 +0.022 C ATOM 41 C LIG 1 7.913 -0.711 -2.214 0.00 0.00 +0.027 C ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 9