REMARK Name = BDB056173 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.895 -0.711 -0.651 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -2.681 -0.709 0.512 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -3.923 -0.069 0.517 0.00 0.00 +0.076 A ATOM 4 N LIG 1 -4.680 -0.060 1.688 0.00 0.00 -0.280 N ATOM 5 H LIG 1 -4.328 -0.465 2.544 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 -5.920 0.508 1.736 0.00 0.00 +0.255 C ATOM 7 C LIG 1 -6.451 1.041 0.406 0.00 0.00 +0.325 C ATOM 8 O LIG 1 -5.579 1.250 -0.693 0.00 0.00 -0.481 OA ATOM 9 O LIG 1 -6.570 0.536 2.778 0.00 0.00 -0.272 OA ATOM 10 C LIG 1 -4.394 0.573 -0.629 0.00 0.00 +0.142 A ATOM 11 C LIG 1 -3.616 0.581 -1.784 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -2.377 -0.062 -1.798 0.00 0.00 +0.008 A ENDROOT BRANCH 1 13 ATOM 13 C LIG 1 -0.550 -1.409 -0.674 0.00 0.00 +0.119 C BRANCH 13 17 ATOM 14 C LIG 1 3.133 -0.048 0.576 0.00 0.00 +0.058 C ATOM 15 C LIG 1 2.715 -1.405 -0.047 0.00 0.00 +0.034 C ATOM 16 C LIG 1 1.809 -1.242 -1.266 0.00 0.00 +0.086 C ATOM 17 N LIG 1 0.569 -0.508 -0.987 0.00 0.00 -0.298 NA ATOM 18 C LIG 1 0.738 0.542 0.029 0.00 0.00 +0.086 C ATOM 19 C LIG 1 2.174 1.064 0.091 0.00 0.00 +0.034 C BRANCH 14 21 ATOM 20 C LIG 1 5.439 -0.640 1.126 0.00 0.00 +0.104 C ATOM 21 N LIG 1 4.571 0.254 0.342 0.00 0.00 -0.305 NA ATOM 22 C LIG 1 4.929 1.640 0.668 0.00 0.00 +0.104 C ENDBRANCH 14 21 ENDBRANCH 13 17 ENDBRANCH 1 13 TORSDOF 3