REMARK Name = BDB026468 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.741 -2.250 -0.535 0.00 0.00 -0.278 N ATOM 2 C LIG 1 0.202 -0.974 -0.446 0.00 0.00 +0.305 C ATOM 3 O LIG 1 0.255 -0.096 -1.292 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -0.450 -0.877 0.781 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -0.478 -2.167 1.438 0.00 0.00 +0.128 C ATOM 6 C LIG 1 0.629 -2.939 0.731 0.00 0.00 +0.128 C ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 1.704 -2.632 -1.550 0.00 0.00 +0.164 C BRANCH 7 11 ATOM 8 C LIG 1 5.677 -1.539 -0.456 0.00 0.00 +0.055 A ATOM 9 C LIG 1 5.153 -2.801 -0.222 0.00 0.00 +0.124 A ATOM 10 N LIG 1 3.888 -3.165 -0.556 0.00 0.00 -0.258 NA ATOM 11 C LIG 1 3.122 -2.237 -1.191 0.00 0.00 +0.059 A ATOM 12 C LIG 1 3.587 -0.954 -1.484 0.00 0.00 +0.025 A ATOM 13 C LIG 1 4.886 -0.606 -1.121 0.00 0.00 +0.016 A BRANCH 8 15 ATOM 14 O LIG 1 7.939 -2.030 -0.462 0.00 0.00 -0.270 OA ATOM 15 C LIG 1 7.069 -1.259 -0.066 0.00 0.00 +0.248 C ATOM 16 N LIG 1 7.332 -0.162 0.735 0.00 0.00 -0.297 N ATOM 17 C LIG 1 8.694 0.135 1.147 0.00 0.00 +0.108 C ATOM 18 C LIG 1 8.547 1.005 2.388 0.00 0.00 +0.020 C ATOM 19 C LIG 1 7.219 1.712 2.159 0.00 0.00 +0.020 C ATOM 20 C LIG 1 6.373 0.639 1.488 0.00 0.00 +0.108 C ENDBRANCH 8 15 ENDBRANCH 7 11 ENDBRANCH 1 7 BRANCH 4 21 ATOM 21 C LIG 1 -1.328 0.224 1.158 0.00 0.00 +0.142 C BRANCH 21 22 ATOM 22 C LIG 1 -2.564 0.353 0.237 0.00 0.00 +0.146 C BRANCH 22 23 ATOM 23 O LIG 1 -2.204 1.083 -0.943 0.00 0.00 -0.389 OA ATOM 24 H LIG 1 -1.354 0.718 -1.272 0.00 0.00 +0.210 HD ENDBRANCH 22 23 BRANCH 22 25 ATOM 25 C LIG 1 -3.699 1.104 0.981 0.00 0.00 +0.117 C BRANCH 25 26 ATOM 26 N LIG 1 -5.037 1.176 0.366 0.00 0.00 -0.295 NA ATOM 27 C LIG 1 -5.068 2.023 -0.838 0.00 0.00 +0.120 C ATOM 28 C LIG 1 -6.454 2.123 -1.447 0.00 0.00 -0.030 A ATOM 29 C LIG 1 -7.418 1.127 -1.207 0.00 0.00 -0.042 A ATOM 30 C LIG 1 -8.679 1.218 -1.813 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -8.971 2.275 -2.675 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -8.011 3.252 -2.932 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -7.114 -0.000 -0.252 0.00 0.00 +0.051 C ATOM 34 C LIG 1 -6.758 3.175 -2.323 0.00 0.00 +0.005 A ATOM 35 C LIG 1 -5.615 -0.136 0.059 0.00 0.00 +0.089 C ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 21 22 ENDBRANCH 4 21 TORSDOF 8