REMARK Name = BDB058584 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.400 0.269 0.212 0.00 0.00 +0.089 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -2.383 -1.380 -1.110 0.00 0.00 +0.021 C ATOM 3 C LIG 1 -1.637 -1.999 0.082 0.00 0.00 +0.023 C ATOM 4 C LIG 1 -0.156 -1.616 0.057 0.00 0.00 +0.085 C ATOM 5 N LIG 1 0.001 -0.158 0.035 0.00 0.00 -0.302 NA ATOM 6 C LIG 1 -0.636 0.443 -1.141 0.00 0.00 +0.085 C ATOM 7 C LIG 1 -2.135 0.135 -1.160 0.00 0.00 +0.023 C BRANCH 2 10 ATOM 8 C LIG 1 -6.076 -1.604 -0.054 0.00 0.00 -0.046 A ATOM 9 C LIG 1 -4.705 -1.300 -0.054 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -3.864 -1.717 -1.098 0.00 0.00 -0.044 A ATOM 11 C LIG 1 -4.417 -2.463 -2.148 0.00 0.00 +0.004 A ATOM 12 C LIG 1 -5.773 -2.788 -2.150 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -6.596 -2.366 -1.107 0.00 0.00 +0.004 A BRANCH 8 14 ATOM 14 C LIG 1 -6.972 -1.165 1.082 0.00 0.00 +0.050 C BRANCH 14 15 ATOM 15 C LIG 1 -7.000 0.350 1.381 0.00 0.00 +0.088 C BRANCH 15 17 ATOM 16 C LIG 1 -7.654 1.202 -0.812 0.00 0.00 +0.104 C ATOM 17 N LIG 1 -7.993 1.129 0.611 0.00 0.00 -0.308 NA ATOM 18 C LIG 1 -8.089 2.486 1.159 0.00 0.00 +0.104 C ENDBRANCH 15 17 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 10 ENDBRANCH 1 5 BRANCH 1 19 ATOM 19 C LIG 1 2.403 -0.131 -0.886 0.00 0.00 +0.053 C BRANCH 19 20 ATOM 20 C LIG 1 3.780 0.362 -0.595 0.00 0.00 -0.008 A ATOM 21 C LIG 1 4.807 -0.298 0.043 0.00 0.00 +0.120 A ATOM 22 N LIG 1 5.903 0.554 0.088 0.00 0.00 -0.220 N ATOM 23 N LIG 1 5.601 1.738 -0.504 0.00 0.00 -0.173 NA ATOM 24 C LIG 1 4.338 1.615 -0.908 0.00 0.00 +0.138 A BRANCH 22 25 ATOM 25 C LIG 1 7.171 0.225 0.679 0.00 0.00 +0.180 A ATOM 26 C LIG 1 8.243 1.129 0.696 0.00 0.00 +0.122 A ATOM 27 C LIG 1 9.417 0.665 1.309 0.00 0.00 +0.070 A ATOM 28 C LIG 1 10.582 1.569 1.361 0.00 0.00 +0.259 A ATOM 29 N LIG 1 10.408 2.801 0.795 0.00 0.00 -0.313 N ATOM 30 H LIG 1 11.198 3.429 0.824 0.00 0.00 +0.170 HD ATOM 31 C LIG 1 9.236 3.180 0.217 0.00 0.00 +0.200 A ATOM 32 O LIG 1 11.641 1.234 1.878 0.00 0.00 -0.267 OA ATOM 33 C LIG 1 9.519 -0.609 1.867 0.00 0.00 +0.035 A ATOM 34 C LIG 1 8.412 -1.419 1.798 0.00 0.00 +0.114 A ATOM 35 N LIG 1 8.196 2.428 0.148 0.00 0.00 -0.233 NA ATOM 36 N LIG 1 7.255 -1.037 1.224 0.00 0.00 -0.234 NA ENDBRANCH 22 25 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 8