REMARK Name = BDB011935 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.693 -0.227 -0.594 0.00 0.00 +0.176 C ATOM 2 C LIG 1 1.567 0.793 -0.581 0.00 0.00 +0.242 C ATOM 3 O LIG 1 1.803 1.941 -0.176 0.00 0.00 -0.273 OA ATOM 4 N LIG 1 0.297 0.406 -1.006 0.00 0.00 -0.262 N ATOM 5 C LIG 1 -0.067 -0.913 -1.497 0.00 0.00 +0.058 A ATOM 6 C LIG 1 0.554 -2.135 -1.120 0.00 0.00 +0.050 A ATOM 7 C LIG 1 0.058 -3.348 -1.669 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -0.985 -3.389 -2.592 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -1.575 -2.201 -2.981 0.00 0.00 +0.021 A ATOM 10 N LIG 1 1.522 -2.335 -0.129 0.00 0.00 -0.340 N ATOM 11 H LIG 1 2.105 -3.151 -0.314 0.00 0.00 +0.146 HD ATOM 12 C LIG 1 -1.124 -0.993 -2.437 0.00 0.00 +0.026 A ATOM 13 C LIG 1 2.289 -1.253 0.454 0.00 0.00 +0.133 C ENDROOT BRANCH 1 15 ATOM 14 C LIG 1 5.171 -0.180 -0.342 0.00 0.00 +0.230 C ATOM 15 N LIG 1 3.949 0.444 -0.273 0.00 0.00 -0.301 N ATOM 16 H LIG 1 3.918 1.367 0.162 0.00 0.00 +0.150 HD ATOM 17 O LIG 1 5.298 -1.343 -0.712 0.00 0.00 -0.274 OA BRANCH 14 18 ATOM 18 C LIG 1 6.352 0.747 0.038 0.00 0.00 +0.137 C ATOM 19 C LIG 1 7.610 -0.077 0.306 0.00 0.00 +0.034 C BRANCH 18 21 ATOM 20 C LIG 1 6.793 2.739 1.380 0.00 0.00 +0.101 C ATOM 21 N LIG 1 5.948 1.566 1.207 0.00 0.00 -0.309 NA ATOM 22 H LIG 1 5.995 0.988 2.047 0.00 0.00 +0.122 HD ENDBRANCH 18 21 ENDBRANCH 14 18 ENDBRANCH 1 15 BRANCH 8 23 ATOM 23 C LIG 1 -1.445 -4.640 -3.116 0.00 0.00 +0.099 C ATOM 24 N LIG 1 -1.807 -5.660 -3.535 0.00 0.00 -0.191 NA ENDBRANCH 8 23 BRANCH 4 25 ATOM 25 C LIG 1 -0.723 1.477 -0.996 0.00 0.00 +0.171 C BRANCH 25 26 ATOM 26 C LIG 1 -1.872 1.145 -0.089 0.00 0.00 +0.089 A ATOM 27 C LIG 1 -1.847 0.939 1.312 0.00 0.00 +0.025 A ATOM 28 C LIG 1 -3.158 0.606 1.654 0.00 0.00 +0.075 A ATOM 29 C LIG 1 -3.486 0.202 2.963 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -2.481 0.221 3.936 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -1.185 0.613 3.620 0.00 0.00 +0.001 A ATOM 32 N LIG 1 -3.898 0.734 0.478 0.00 0.00 -0.231 N ATOM 33 C LIG 1 -0.853 0.968 2.310 0.00 0.00 +0.012 A ATOM 34 N LIG 1 -3.106 1.008 -0.586 0.00 0.00 -0.169 NA BRANCH 32 35 ATOM 35 C LIG 1 -5.315 0.692 0.299 0.00 0.00 +0.083 A ATOM 36 C LIG 1 -5.896 0.342 -0.938 0.00 0.00 +0.077 A ATOM 37 C LIG 1 -7.298 0.348 -1.066 0.00 0.00 +0.021 A ATOM 38 C LIG 1 -8.117 0.706 0.004 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -7.544 1.069 1.217 0.00 0.00 +0.002 A ATOM 40 C LIG 1 -6.155 1.068 1.364 0.00 0.00 +0.029 A BRANCH 36 41 ATOM 41 C LIG 1 -5.155 -0.094 -2.093 0.00 0.00 +0.101 C ATOM 42 N LIG 1 -4.639 -0.474 -3.062 0.00 0.00 -0.191 NA ENDBRANCH 36 41 ENDBRANCH 32 35 ENDBRANCH 25 26 ENDBRANCH 4 25 TORSDOF 8