REMARK Name = BDB024790 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.830 -2.930 -1.680 0.00 0.00 +0.407 C ATOM 2 N LIG 1 -3.492 -2.254 -0.495 0.00 0.00 -0.234 N ATOM 3 C LIG 1 -4.361 -2.376 0.703 0.00 0.00 +0.082 C ATOM 4 C LIG 1 -4.273 -3.786 1.315 0.00 0.00 +0.028 C ATOM 5 C LIG 1 -4.063 -1.372 1.828 0.00 0.00 +0.027 C ATOM 6 C LIG 1 -3.716 -0.016 1.259 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -2.498 -0.189 0.401 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -1.449 0.753 0.401 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.326 1.911 1.126 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -0.184 2.458 0.764 0.00 0.00 +0.113 A ATOM 11 N LIG 1 0.467 1.653 -0.149 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -0.348 0.577 -0.426 0.00 0.00 +0.069 A ATOM 13 C LIG 1 -0.235 -0.512 -1.290 0.00 0.00 +0.030 A ATOM 14 C LIG 1 -1.286 -1.440 -1.292 0.00 0.00 +0.026 A ATOM 15 C LIG 1 -2.414 -1.300 -0.470 0.00 0.00 +0.045 A ATOM 16 O LIG 1 -3.225 -2.876 -2.746 0.00 0.00 -0.226 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -5.384 -4.349 -2.736 0.00 0.00 +0.282 C ATOM 18 O LIG 1 -4.980 -3.660 -1.552 0.00 0.00 -0.453 OA ENDBRANCH 1 18 BRANCH 11 19 ATOM 19 C LIG 1 1.767 1.899 -0.749 0.00 0.00 +0.138 C BRANCH 19 20 ATOM 20 C LIG 1 2.949 1.467 0.136 0.00 0.00 +0.102 C BRANCH 20 21 ATOM 21 N LIG 1 3.061 0.031 0.420 0.00 0.00 -0.312 NA ATOM 22 H LIG 1 2.150 -0.330 0.713 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 3.599 -0.778 -0.681 0.00 0.00 +0.054 C ATOM 24 C LIG 1 3.204 -2.250 -0.429 0.00 0.00 +0.019 C ATOM 25 C LIG 1 4.155 -3.211 -1.132 0.00 0.00 +0.007 C ATOM 26 C LIG 1 5.576 -3.117 -0.545 0.00 0.00 +0.015 C ATOM 27 C LIG 1 5.903 -1.688 -0.057 0.00 0.00 +0.007 C ATOM 28 C LIG 1 5.128 -0.626 -0.833 0.00 0.00 +0.019 C BRANCH 26 29 ATOM 29 C LIG 1 6.595 -3.644 -1.565 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 O LIG 1 7.855 -3.889 -0.955 0.00 0.00 -0.395 OA ATOM 31 H LIG 1 8.240 -3.034 -0.699 0.00 0.00 +0.209 HD ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 11 19 BRANCH 10 32 ATOM 32 C LIG 1 0.324 3.777 1.264 0.00 0.00 +0.096 C BRANCH 32 33 ATOM 33 C LIG 1 -0.217 4.949 0.433 0.00 0.00 +0.132 C BRANCH 33 34 ATOM 34 N LIG 1 -1.542 5.401 0.858 0.00 0.00 -0.315 N ATOM 35 C LIG 1 -1.623 6.321 1.904 0.00 0.00 +0.251 A ATOM 36 O LIG 1 -0.653 6.805 2.483 0.00 0.00 -0.268 OA ATOM 37 C LIG 1 -2.996 6.723 2.315 0.00 0.00 +0.070 A ATOM 38 C LIG 1 -4.064 6.184 1.715 0.00 0.00 +0.007 A ATOM 39 C LIG 1 -3.899 5.205 0.672 0.00 0.00 +0.018 A ATOM 40 C LIG 1 -2.671 4.845 0.280 0.00 0.00 +0.089 A ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 10 32 TORSDOF 10