REMARK Name = BDB044602 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.375 -2.517 -2.198 0.00 0.00 +0.046 A ATOM 2 C LIG 1 1.637 -2.543 -1.558 0.00 0.00 +0.058 A ATOM 3 C LIG 1 2.661 -3.375 -2.047 0.00 0.00 +0.015 A ATOM 4 C LIG 1 2.455 -4.146 -3.189 0.00 0.00 +0.001 A ATOM 5 C LIG 1 1.227 -4.100 -3.840 0.00 0.00 +0.002 A ATOM 6 C LIG 1 0.194 -3.297 -3.346 0.00 0.00 +0.024 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -1.926 -1.490 -2.157 0.00 0.00 +0.248 C ATOM 8 N LIG 1 -0.664 -1.725 -1.649 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -0.424 -1.277 -0.764 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -2.344 -1.844 -3.253 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 -4.601 0.867 0.308 0.00 0.00 -0.042 A ATOM 12 C LIG 1 -3.612 0.051 0.894 0.00 0.00 +0.005 A ATOM 13 C LIG 1 -2.739 -0.720 0.117 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -2.828 -0.688 -1.276 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -3.813 0.102 -1.875 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -4.684 0.871 -1.093 0.00 0.00 +0.005 A BRANCH 11 18 ATOM 17 C LIG 1 -6.347 0.762 2.122 0.00 0.00 +0.015 C ATOM 18 C LIG 1 -5.540 1.701 1.199 0.00 0.00 -0.013 C ATOM 19 C LIG 1 -6.560 2.550 0.407 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -4.710 2.674 2.063 0.00 0.00 +0.015 C ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 2 21 ATOM 21 C LIG 1 1.893 -1.701 -0.347 0.00 0.00 +0.250 C ATOM 22 N LIG 1 3.168 -1.170 -0.259 0.00 0.00 -0.281 N ATOM 23 H LIG 1 3.771 -1.287 -1.063 0.00 0.00 +0.155 HD ATOM 24 O LIG 1 0.965 -1.503 0.432 0.00 0.00 -0.270 OA BRANCH 22 25 ATOM 25 C LIG 1 3.695 -0.370 0.777 0.00 0.00 +0.034 A ATOM 26 C LIG 1 4.993 0.131 0.600 0.00 0.00 +0.027 A ATOM 27 C LIG 1 5.601 0.944 1.572 0.00 0.00 -0.035 A ATOM 28 C LIG 1 4.890 1.246 2.739 0.00 0.00 +0.004 A ATOM 29 C LIG 1 3.604 0.743 2.927 0.00 0.00 +0.002 A ATOM 30 C LIG 1 3.010 -0.063 1.952 0.00 0.00 +0.023 A BRANCH 27 31 ATOM 31 C LIG 1 7.002 1.473 1.370 0.00 0.00 +0.155 C BRANCH 31 32 ATOM 32 C LIG 1 7.133 2.483 0.255 0.00 0.00 +0.309 C ATOM 33 O LIG 1 6.386 2.664 -0.691 0.00 0.00 -0.251 OA BRANCH 32 34 ATOM 34 O LIG 1 8.272 3.202 0.359 0.00 0.00 -0.480 OA ATOM 35 H LIG 1 8.242 3.802 -0.417 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 27 31 ENDBRANCH 22 25 ENDBRANCH 2 21 TORSDOF 8