REMARK Name = BDB038719 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.771 -1.031 -0.571 0.00 0.00 -0.012 A ATOM 2 C LIG 1 -2.528 -0.398 -0.679 0.00 0.00 +0.052 A ATOM 3 C LIG 1 -1.371 -1.061 -0.294 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -1.423 -2.334 0.140 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 -2.601 -2.998 0.221 0.00 0.00 +0.047 A ATOM 6 C LIG 1 -3.788 -2.356 -0.125 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.123 -0.405 -0.328 0.00 0.00 -0.248 N ATOM 8 C LIG 1 1.090 -0.987 0.039 0.00 0.00 +0.253 C ATOM 9 O LIG 1 1.381 -2.104 0.423 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.114 0.055 -0.114 0.00 0.00 +0.045 A ATOM 11 C LIG 1 3.478 -0.024 0.115 0.00 0.00 +0.021 A ATOM 12 C LIG 1 4.254 1.126 -0.113 0.00 0.00 +0.005 A ATOM 13 C LIG 1 3.620 2.303 -0.564 0.00 0.00 +0.163 A ATOM 14 C LIG 1 2.242 2.346 -0.782 0.00 0.00 +0.164 A ATOM 15 F LIG 1 1.652 3.470 -1.209 0.00 0.00 -0.202 F ATOM 16 F LIG 1 4.349 3.408 -0.781 0.00 0.00 -0.202 F ATOM 17 C LIG 1 1.492 1.215 -0.553 0.00 0.00 +0.020 A ATOM 18 C LIG 1 0.031 0.993 -0.704 0.00 0.00 +0.154 C BRANCH 12 19 ATOM 19 C LIG 1 5.748 1.094 0.089 0.00 0.00 +0.119 C BRANCH 19 20 ATOM 20 N LIG 1 6.407 0.449 -1.046 0.00 0.00 -0.312 NA ATOM 21 H LIG 1 6.030 -0.494 -1.145 0.00 0.00 +0.122 HD BRANCH 20 22 ATOM 22 C LIG 1 7.862 0.352 -0.884 0.00 0.00 +0.089 C BRANCH 22 23 ATOM 23 C LIG 1 8.566 1.670 -1.167 0.00 0.00 +0.054 C ATOM 24 C LIG 1 10.097 1.573 -1.177 0.00 0.00 +0.166 C ATOM 25 O LIG 1 10.219 2.562 -0.131 0.00 0.00 -0.379 OA ATOM 26 C LIG 1 8.783 2.635 0.005 0.00 0.00 +0.166 C ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 12 19 ENDBRANCH 3 7 BRANCH 1 28 ATOM 27 C LIG 1 -5.373 0.925 -0.302 0.00 0.00 +0.028 A ATOM 28 C LIG 1 -5.026 -0.316 -0.892 0.00 0.00 -0.007 A ATOM 29 C LIG 1 -5.913 -0.872 -1.834 0.00 0.00 +0.010 A ATOM 30 C LIG 1 -7.099 -0.221 -2.190 0.00 0.00 +0.019 A ATOM 31 C LIG 1 -7.422 1.009 -1.616 0.00 0.00 +0.052 A ATOM 32 C LIG 1 -6.559 1.581 -0.679 0.00 0.00 +0.031 A BRANCH 27 35 ATOM 33 C LIG 1 -4.938 0.107 2.688 0.00 0.00 +0.152 C ATOM 34 N LIG 1 -4.316 1.194 1.981 0.00 0.00 -0.317 N ATOM 35 C LIG 1 -4.516 1.586 0.681 0.00 0.00 +0.164 A ATOM 36 N LIG 1 -3.765 2.647 0.450 0.00 0.00 -0.129 NA ATOM 37 N LIG 1 -3.048 2.928 1.588 0.00 0.00 -0.138 NA ATOM 38 C LIG 1 -3.393 2.050 2.500 0.00 0.00 +0.225 A ENDBRANCH 27 35 BRANCH 31 39 ATOM 39 C LIG 1 -8.633 1.681 -1.986 0.00 0.00 +0.099 C ATOM 40 N LIG 1 -9.621 2.214 -2.279 0.00 0.00 -0.191 NA ENDBRANCH 31 39 ENDBRANCH 1 28 BRANCH 5 41 ATOM 41 C LIG 1 -2.536 -4.430 0.713 0.00 0.00 +0.038 C ATOM 42 C LIG 1 -3.601 -5.018 1.609 0.00 0.00 +0.010 C ATOM 43 C LIG 1 -3.465 -5.500 0.192 0.00 0.00 +0.010 C ENDBRANCH 5 41 TORSDOF 9