REMARK Name = BDB005609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.699 -0.015 -0.713 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.164 0.748 0.333 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.219 0.802 0.532 0.00 0.00 +0.051 A ATOM 4 C LIG 1 1.104 0.062 -0.264 0.00 0.00 +0.020 A ATOM 5 C LIG 1 2.565 0.125 0.025 0.00 0.00 +0.047 A ATOM 6 N LIG 1 3.463 -0.781 -0.590 0.00 0.00 -0.332 N ATOM 7 C LIG 1 3.208 -2.235 -0.513 0.00 0.00 +0.129 C ATOM 8 C LIG 1 4.922 -0.519 -0.513 0.00 0.00 +0.105 C ATOM 9 C LIG 1 5.227 0.944 -0.228 0.00 0.00 +0.024 C ATOM 10 C LIG 1 4.459 1.405 1.007 0.00 0.00 +0.044 C ATOM 11 C LIG 1 2.997 1.104 0.849 0.00 0.00 +0.039 A ATOM 12 C LIG 1 2.055 1.931 1.651 0.00 0.00 +0.254 A ATOM 13 O LIG 1 2.450 2.790 2.435 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 0.562 -0.635 -1.353 0.00 0.00 +0.012 A ATOM 15 N LIG 1 0.724 1.673 1.499 0.00 0.00 -0.322 N ATOM 16 H LIG 1 0.098 2.246 2.048 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -0.820 -0.686 -1.570 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -3.196 -0.052 -0.953 0.00 0.00 +0.119 C BRANCH 18 19 ATOM 19 N LIG 1 -3.972 -0.427 0.245 0.00 0.00 -0.301 NA ATOM 20 C LIG 1 -3.736 -1.835 0.591 0.00 0.00 +0.105 C BRANCH 19 22 ATOM 21 C LIG 1 -5.796 1.269 0.042 0.00 0.00 +0.020 C ATOM 22 C LIG 1 -5.415 -0.209 0.046 0.00 0.00 +0.081 C ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 3