REMARK Name = BDB018998 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.666 -2.941 -0.393 0.00 0.00 +0.129 C ATOM 2 N LIG 1 4.395 -2.281 -0.219 0.00 0.00 -0.302 N ATOM 3 H LIG 1 3.624 -2.882 0.022 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 4.355 -1.044 0.380 0.00 0.00 +0.302 C ATOM 5 N LIG 1 3.080 -0.511 0.522 0.00 0.00 -0.278 N ATOM 6 C LIG 1 1.958 -0.964 -0.312 0.00 0.00 +0.148 C ATOM 7 C LIG 1 0.722 -0.102 -0.250 0.00 0.00 +0.016 A ATOM 8 C LIG 1 -0.516 -0.638 0.124 0.00 0.00 +0.017 A ATOM 9 C LIG 1 -1.667 0.166 0.159 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -1.564 1.526 -0.186 0.00 0.00 +0.058 A ATOM 11 C LIG 1 -0.340 2.082 -0.568 0.00 0.00 +0.162 A ATOM 12 C LIG 1 0.794 1.260 -0.583 0.00 0.00 +0.167 A ATOM 13 O LIG 1 1.998 1.777 -0.990 0.00 0.00 -0.486 OA ATOM 14 C LIG 1 2.931 1.948 0.091 0.00 0.00 +0.248 C ATOM 15 C LIG 1 2.980 0.818 1.132 0.00 0.00 +0.150 C ATOM 16 O LIG 1 5.371 -0.465 0.752 0.00 0.00 -0.253 OA ENDROOT BRANCH 9 17 ATOM 17 C LIG 1 -2.960 -0.405 0.558 0.00 0.00 -0.015 A ATOM 18 C LIG 1 -3.909 -0.856 -0.387 0.00 0.00 -0.043 A ATOM 19 C LIG 1 -3.645 -0.774 -1.867 0.00 0.00 +0.044 C ATOM 20 C LIG 1 -5.132 -1.384 0.060 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -5.416 -1.475 1.423 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.483 -1.038 2.357 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -3.267 -0.507 1.928 0.00 0.00 +0.009 A ENDBRANCH 9 17 BRANCH 11 24 ATOM 24 O LIG 1 -0.143 3.392 -0.914 0.00 0.00 -0.491 OA ATOM 25 C LIG 1 -1.295 4.216 -1.030 0.00 0.00 +0.277 C ENDBRANCH 11 24 TORSDOF 2