REMARK Name = BDB061259 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.294 -1.922 0.218 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -3.544 -1.583 0.772 0.00 0.00 +0.151 A ATOM 3 C LIG 1 -4.027 -2.254 1.896 0.00 0.00 +0.106 A ATOM 4 C LIG 1 -5.320 -1.842 2.456 0.00 0.00 +0.197 A ATOM 5 C LIG 1 -6.015 -0.726 1.801 0.00 0.00 +0.098 A ATOM 6 C LIG 1 -5.460 -0.170 0.715 0.00 0.00 +0.139 A ATOM 7 O LIG 1 -5.793 -2.402 3.439 0.00 0.00 -0.287 OA ATOM 8 C LIG 1 -3.279 -3.283 2.473 0.00 0.00 +0.135 A ATOM 9 C LIG 1 -2.048 -3.641 1.934 0.00 0.00 +0.092 A ATOM 10 O LIG 1 -4.258 -0.577 0.164 0.00 0.00 -0.454 OA ATOM 11 C LIG 1 -1.563 -2.960 0.817 0.00 0.00 +0.128 A ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 -6.080 0.971 0.012 0.00 0.00 +0.018 A ATOM 13 C LIG 1 -5.270 2.010 -0.476 0.00 0.00 +0.015 A ATOM 14 C LIG 1 -5.830 3.092 -1.159 0.00 0.00 +0.046 A ATOM 15 C LIG 1 -7.202 3.138 -1.366 0.00 0.00 +0.117 A ATOM 16 C LIG 1 -8.026 2.120 -0.902 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -7.464 1.038 -0.216 0.00 0.00 +0.015 A BRANCH 15 18 ATOM 18 O LIG 1 -7.706 4.209 -2.042 0.00 0.00 -0.507 OA ATOM 19 H LIG 1 -8.669 4.107 -2.115 0.00 0.00 +0.292 HD ENDBRANCH 15 18 ENDBRANCH 6 12 BRANCH 8 20 ATOM 20 O LIG 1 -3.694 -3.981 3.575 0.00 0.00 -0.506 OA ATOM 21 H LIG 1 -4.567 -3.622 3.854 0.00 0.00 +0.292 HD ENDBRANCH 8 20 BRANCH 11 22 ATOM 22 O LIG 1 -0.345 -3.302 0.297 0.00 0.00 -0.506 OA ATOM 23 H LIG 1 0.016 -4.051 0.801 0.00 0.00 +0.292 HD ENDBRANCH 11 22 BRANCH 1 24 ATOM 24 C LIG 1 -1.756 -1.170 -0.984 0.00 0.00 +0.127 C BRANCH 24 29 ATOM 25 C LIG 1 2.550 0.818 -2.342 0.00 0.00 +0.403 C ATOM 26 N LIG 1 1.299 0.653 -1.774 0.00 0.00 -0.265 N ATOM 27 C LIG 1 0.137 0.661 -2.658 0.00 0.00 +0.126 C ATOM 28 C LIG 1 -1.169 1.005 -1.917 0.00 0.00 +0.104 C ATOM 29 N LIG 1 -1.408 0.232 -0.680 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -0.217 0.349 0.189 0.00 0.00 +0.104 C ATOM 31 C LIG 1 1.124 -0.009 -0.480 0.00 0.00 +0.126 C ATOM 32 O LIG 1 2.736 1.146 -3.508 0.00 0.00 -0.226 OA BRANCH 25 33 ATOM 33 O LIG 1 3.554 0.582 -1.459 0.00 0.00 -0.445 OA BRANCH 33 34 ATOM 34 C LIG 1 4.865 0.777 -1.997 0.00 0.00 +0.269 C BRANCH 34 38 ATOM 35 C LIG 1 6.535 1.587 2.691 0.00 0.00 +0.044 C ATOM 36 C LIG 1 6.699 0.923 1.355 0.00 0.00 -0.050 A ATOM 37 C LIG 1 5.745 1.128 0.349 0.00 0.00 +0.010 A ATOM 38 C LIG 1 5.884 0.527 -0.912 0.00 0.00 -0.010 A ATOM 39 C LIG 1 7.013 -0.267 -1.163 0.00 0.00 +0.010 A ATOM 40 C LIG 1 7.990 -0.461 -0.178 0.00 0.00 -0.050 A ATOM 41 C LIG 1 9.178 -1.338 -0.447 0.00 0.00 +0.044 C ATOM 42 C LIG 1 7.820 0.130 1.081 0.00 0.00 +0.006 A ENDBRANCH 34 38 ENDBRANCH 33 34 ENDBRANCH 25 33 ENDBRANCH 24 29 ENDBRANCH 1 24 TORSDOF 9