REMARK Name = BDB064708 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -2.019 1.085 0.513 0.00 0.00 -0.312 N ATOM 2 C LIG 1 -2.794 -0.013 0.269 0.00 0.00 +0.165 A ATOM 3 C LIG 1 -3.866 0.465 -0.467 0.00 0.00 +0.147 A ATOM 4 C LIG 1 -4.833 -0.477 -0.855 0.00 0.00 +0.147 A ATOM 5 N LIG 1 -4.646 -1.772 -0.510 0.00 0.00 -0.219 NA ATOM 6 C LIG 1 -3.552 -2.092 0.214 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -3.741 1.824 -0.685 0.00 0.00 -0.231 NA ATOM 8 N LIG 1 -2.565 -1.281 0.648 0.00 0.00 -0.216 NA ATOM 9 C LIG 1 -2.626 2.163 -0.072 0.00 0.00 +0.201 A ENDROOT BRANCH 4 10 ATOM 10 N LIG 1 -5.962 -0.149 -1.594 0.00 0.00 -0.341 N ATOM 11 H LIG 1 -5.878 0.727 -2.096 0.00 0.00 +0.144 HD ATOM 12 H LIG 1 -6.343 -0.945 -2.087 0.00 0.00 +0.144 HD ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 C LIG 1 -0.785 1.102 1.262 0.00 0.00 +0.165 C BRANCH 13 14 ATOM 14 C LIG 1 0.378 0.491 0.488 0.00 0.00 +0.250 C BRANCH 14 15 ATOM 15 O LIG 1 1.569 0.697 1.250 0.00 0.00 -0.490 OA BRANCH 15 19 ATOM 16 C LIG 1 5.265 -0.675 -0.110 0.00 0.00 +0.052 A ATOM 17 C LIG 1 5.129 0.014 1.097 0.00 0.00 +0.022 A ATOM 18 C LIG 1 3.868 0.454 1.510 0.00 0.00 +0.047 A ATOM 19 C LIG 1 2.736 0.213 0.727 0.00 0.00 +0.121 A ATOM 20 C LIG 1 2.873 -0.476 -0.479 0.00 0.00 +0.047 A ATOM 21 C LIG 1 4.134 -0.919 -0.896 0.00 0.00 +0.022 A BRANCH 16 23 ATOM 22 N LIG 1 7.598 -1.497 -0.892 0.00 0.00 -0.191 NA ATOM 23 C LIG 1 6.555 -1.129 -0.541 0.00 0.00 +0.099 C ENDBRANCH 16 23 ENDBRANCH 15 19 ENDBRANCH 14 15 ENDBRANCH 13 14 ENDBRANCH 1 13 TORSDOF 6