REMARK Name = BDB013736 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.679 -1.607 0.779 0.00 0.00 -0.323 N ATOM 2 H LIG 1 0.648 -2.479 0.266 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.585 -0.688 0.317 0.00 0.00 +0.149 A ATOM 4 C LIG 1 2.545 -1.240 -0.623 0.00 0.00 +0.046 A ATOM 5 C LIG 1 3.468 -0.391 -1.189 0.00 0.00 +0.117 A ATOM 6 N LIG 1 4.260 -1.102 -2.046 0.00 0.00 -0.356 N ATOM 7 H LIG 1 5.018 -0.707 -2.589 0.00 0.00 +0.165 HD ATOM 8 C LIG 1 3.863 -2.416 -2.030 0.00 0.00 +0.084 A ATOM 9 C LIG 1 3.543 1.009 -0.891 0.00 0.00 +0.291 A ATOM 10 O LIG 1 4.350 1.758 -1.435 0.00 0.00 -0.264 OA ATOM 11 N LIG 1 2.607 1.410 0.075 0.00 0.00 -0.229 N ATOM 12 C LIG 1 2.510 2.807 0.437 0.00 0.00 +0.176 C ATOM 13 C LIG 1 2.802 -2.533 -1.153 0.00 0.00 +0.031 A ATOM 14 N LIG 1 1.640 0.570 0.637 0.00 0.00 -0.153 NA ENDBRANCH 1 3 BRANCH 1 16 ATOM 15 C LIG 1 -0.430 -0.463 2.679 0.00 0.00 +0.030 C ATOM 16 C LIG 1 -0.617 -1.265 1.391 0.00 0.00 +0.090 C BRANCH 16 17 ATOM 17 C LIG 1 -1.658 -0.736 0.320 0.00 0.00 +0.106 C BRANCH 17 18 ATOM 18 C LIG 1 -1.539 0.736 -0.095 0.00 0.00 -0.029 A ATOM 19 C LIG 1 -1.154 1.052 -1.413 0.00 0.00 +0.005 A ATOM 20 C LIG 1 -1.046 2.378 -1.839 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -1.329 3.417 -0.960 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.720 3.129 0.344 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -1.826 1.802 0.771 0.00 0.00 +0.005 A ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 N LIG 1 -3.092 -1.118 0.495 0.00 0.00 -0.300 NA ATOM 25 C LIG 1 -3.366 -2.457 -0.031 0.00 0.00 +0.105 C ATOM 26 C LIG 1 -3.627 -0.995 1.845 0.00 0.00 +0.105 C ENDBRANCH 17 24 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 5