REMARK Name = BDB028136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.042 -0.731 -0.398 0.00 0.00 +0.083 A ATOM 2 C LIG 1 1.613 -0.467 -0.097 0.00 0.00 +0.012 A ATOM 3 C LIG 1 0.863 0.175 -1.075 0.00 0.00 +0.050 A ATOM 4 C LIG 1 -0.501 0.448 -0.877 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -1.144 0.094 0.321 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.362 -0.547 1.302 0.00 0.00 +0.011 A ATOM 7 C LIG 1 1.518 0.580 -2.329 0.00 0.00 +0.272 A ATOM 8 O LIG 1 0.897 1.150 -3.219 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 2.857 0.291 -2.435 0.00 0.00 -0.242 N ATOM 10 H LIG 1 3.326 0.565 -3.292 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 0.998 -0.823 1.104 0.00 0.00 +0.011 A ATOM 12 N LIG 1 3.614 -0.354 -1.506 0.00 0.00 -0.174 NA ENDROOT BRANCH 5 13 ATOM 13 C LIG 1 -2.578 0.368 0.561 0.00 0.00 +0.071 A ATOM 14 N LIG 1 -3.206 -0.496 1.401 0.00 0.00 -0.255 NA ATOM 15 C LIG 1 -4.519 -0.297 1.652 0.00 0.00 +0.111 A ATOM 16 C LIG 1 -5.259 0.737 1.109 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -4.613 1.623 0.260 0.00 0.00 +0.004 A ATOM 18 C LIG 1 -3.259 1.440 -0.018 0.00 0.00 +0.028 A ENDBRANCH 5 13 BRANCH 1 19 ATOM 19 C LIG 1 3.909 -1.471 0.617 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 4.325 -0.536 1.664 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 4.998 -1.002 2.272 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 4.842 0.227 1.222 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 3