REMARK Name = BDB047121 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.459 1.119 0.381 0.00 0.00 +0.136 A ATOM 2 C LIG 1 -0.157 2.386 0.402 0.00 0.00 +0.041 A ATOM 3 C LIG 1 -1.556 2.368 0.340 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.242 3.576 0.368 0.00 0.00 +0.028 A ATOM 5 C LIG 1 -1.580 4.803 0.447 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -0.194 4.834 0.492 0.00 0.00 +0.001 A ATOM 7 N LIG 1 -2.264 1.242 0.249 0.00 0.00 -0.227 NA ATOM 8 C LIG 1 -1.591 0.082 0.205 0.00 0.00 +0.162 A ATOM 9 C LIG 1 0.517 3.635 0.468 0.00 0.00 +0.013 A ATOM 10 N LIG 1 -0.253 -0.019 0.249 0.00 0.00 -0.212 NA ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 -2.372 -1.167 0.094 0.00 0.00 +0.019 A ATOM 12 C LIG 1 -1.773 -2.430 0.271 0.00 0.00 +0.011 A ATOM 13 C LIG 1 -2.512 -3.613 0.162 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.872 -3.561 -0.126 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -4.494 -2.329 -0.302 0.00 0.00 +0.001 A ATOM 16 C LIG 1 -3.751 -1.148 -0.192 0.00 0.00 +0.011 A ENDBRANCH 8 11 BRANCH 1 17 ATOM 17 N LIG 1 1.878 1.032 0.443 0.00 0.00 -0.284 N ATOM 18 H LIG 1 2.258 1.698 1.108 0.00 0.00 +0.155 HD BRANCH 17 24 ATOM 19 C LIG 1 5.365 -2.501 0.009 0.00 0.00 +0.067 C ATOM 20 C LIG 1 4.126 -1.689 -0.022 0.00 0.00 +0.062 A ATOM 21 N LIG 1 3.013 -2.183 -0.578 0.00 0.00 -0.178 NA ATOM 22 N LIG 1 2.117 -1.190 -0.431 0.00 0.00 -0.264 N ATOM 23 H LIG 1 1.164 -1.318 -0.755 0.00 0.00 +0.190 HD ATOM 24 C LIG 1 2.613 -0.083 0.204 0.00 0.00 +0.120 A ATOM 25 C LIG 1 3.927 -0.380 0.480 0.00 0.00 +0.068 A ENDBRANCH 17 24 ENDBRANCH 1 17 TORSDOF 3