REMARK Name = BDB055722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.122 -1.553 -0.979 0.00 0.00 +0.078 C ATOM 2 C LIG 1 -1.642 -0.516 -1.998 0.00 0.00 +0.032 C ATOM 3 C LIG 1 -0.127 -0.599 -2.167 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.595 -0.719 -0.902 0.00 0.00 -0.297 N ATOM 5 C LIG 1 1.984 -0.804 -0.979 0.00 0.00 +0.249 C ATOM 6 O LIG 1 2.607 -0.712 -2.034 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -0.176 -0.550 0.328 0.00 0.00 +0.109 C ATOM 8 C LIG 1 -1.374 -1.496 0.362 0.00 0.00 +0.032 C ENDROOT BRANCH 1 17 ATOM 9 O LIG 1 -9.922 -0.241 -0.870 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -8.701 -0.232 -0.789 0.00 0.00 +0.244 C ATOM 11 C LIG 1 -7.985 0.519 0.279 0.00 0.00 +0.042 A ATOM 12 C LIG 1 -6.597 0.366 0.455 0.00 0.00 -0.010 A ATOM 13 C LIG 1 -5.934 1.162 1.404 0.00 0.00 -0.040 A ATOM 14 C LIG 1 -4.440 1.059 1.521 0.00 0.00 +0.054 C ATOM 15 C LIG 1 -3.849 0.726 0.149 0.00 0.00 +0.113 C ATOM 16 N LIG 1 -4.380 -0.535 -0.370 0.00 0.00 -0.292 N ATOM 17 C LIG 1 -3.643 -1.609 -0.843 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -4.212 -2.653 -1.182 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -6.665 2.040 2.214 0.00 0.00 +0.004 A ATOM 20 C LIG 1 -8.046 2.157 2.058 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -5.853 -0.694 -0.349 0.00 0.00 +0.124 C ATOM 22 C LIG 1 -6.479 -0.739 -1.761 0.00 0.00 +0.131 C ATOM 23 C LIG 1 -8.706 1.407 1.085 0.00 0.00 +0.013 A ATOM 24 N LIG 1 -7.920 -0.904 -1.697 0.00 0.00 -0.309 N ATOM 25 H LIG 1 -8.420 -1.323 -2.472 0.00 0.00 +0.149 HD ENDBRANCH 1 17 BRANCH 5 26 ATOM 26 C LIG 1 2.773 -0.995 0.247 0.00 0.00 +0.072 A ATOM 27 C LIG 1 2.651 -2.163 0.993 0.00 0.00 +0.135 A ATOM 28 F LIG 1 1.776 -3.116 0.645 0.00 0.00 -0.205 F ATOM 29 C LIG 1 3.431 -2.352 2.129 0.00 0.00 +0.039 A ATOM 30 C LIG 1 4.354 -1.374 2.509 0.00 0.00 +0.007 A ATOM 31 C LIG 1 4.518 -0.206 1.745 0.00 0.00 -0.041 A ATOM 32 C LIG 1 3.708 -0.019 0.613 0.00 0.00 +0.020 A BRANCH 31 33 ATOM 33 C LIG 1 5.515 0.844 2.187 0.00 0.00 +0.093 C BRANCH 33 34 ATOM 34 C LIG 1 6.253 1.532 1.046 0.00 0.00 +0.074 A ATOM 35 C LIG 1 7.333 0.819 0.318 0.00 0.00 +0.011 A ATOM 36 C LIG 1 7.965 1.507 -0.716 0.00 0.00 +0.050 A ATOM 37 C LIG 1 8.992 0.905 -1.452 0.00 0.00 +0.014 A ATOM 38 C LIG 1 9.389 -0.397 -1.150 0.00 0.00 +0.001 A ATOM 39 C LIG 1 8.761 -1.092 -0.117 0.00 0.00 +0.001 A ATOM 40 C LIG 1 7.540 2.881 -1.028 0.00 0.00 +0.272 A ATOM 41 O LIG 1 8.075 3.530 -1.921 0.00 0.00 -0.266 OA ATOM 42 N LIG 1 6.521 3.388 -0.260 0.00 0.00 -0.242 N ATOM 43 H LIG 1 6.215 4.334 -0.465 0.00 0.00 +0.192 HD ATOM 44 C LIG 1 7.736 -0.488 0.618 0.00 0.00 +0.010 A ATOM 45 N LIG 1 5.884 2.746 0.755 0.00 0.00 -0.175 NA ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 5 26 TORSDOF 4