REMARK Name = BDB016245 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.086 3.060 0.040 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.589 1.615 -0.015 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -1.436 0.739 -0.089 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.612 1.045 0.426 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -1.528 -0.656 -0.161 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -2.726 -1.405 -0.094 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -2.698 -2.791 -0.356 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.510 -3.459 -0.638 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.322 -2.748 -0.674 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -4.005 -0.925 0.260 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.780 -1.570 0.164 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.407 0.232 0.848 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -5.603 0.374 1.118 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -0.320 -1.364 -0.446 0.00 0.00 -0.002 A ATOM 15 C LIG 1 -3.411 1.287 1.211 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 0.966 -0.649 -0.577 0.00 0.00 +0.010 C ATOM 17 C LIG 1 2.010 -0.892 0.230 0.00 0.00 +0.008 C BRANCH 17 18 ATOM 18 C LIG 1 3.306 -0.201 0.144 0.00 0.00 -0.025 A ATOM 19 C LIG 1 4.462 -0.884 0.547 0.00 0.00 +0.008 A ATOM 20 C LIG 1 5.711 -0.259 0.509 0.00 0.00 +0.001 A ATOM 21 C LIG 1 5.817 1.061 0.079 0.00 0.00 +0.000 A ATOM 22 C LIG 1 4.675 1.757 -0.309 0.00 0.00 +0.001 A ATOM 23 C LIG 1 3.425 1.132 -0.272 0.00 0.00 +0.008 A ENDBRANCH 17 18 ENDBRANCH 14 16 TORSDOF 2