REMARK Name = BDB018369 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.979 0.149 -0.078 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -1.595 -0.332 0.022 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -1.405 -1.659 0.175 0.00 0.00 +0.101 A ATOM 4 N LIG 1 -2.451 -2.562 0.249 0.00 0.00 -0.317 N ATOM 5 C LIG 1 -2.139 -3.971 0.433 0.00 0.00 +0.152 C ATOM 6 C LIG 1 -3.780 -2.164 0.180 0.00 0.00 +0.255 A ATOM 7 O LIG 1 -4.745 -2.919 0.255 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -4.009 -0.713 -0.006 0.00 0.00 +0.119 A ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.473 0.561 -0.027 0.00 0.00 +0.025 A ATOM 10 C LIG 1 0.675 0.395 -0.772 0.00 0.00 +0.117 A ATOM 11 N LIG 1 1.472 1.471 -0.490 0.00 0.00 -0.267 N ATOM 12 N LIG 1 0.907 2.338 0.379 0.00 0.00 -0.179 NA ATOM 13 C LIG 1 -0.270 1.775 0.664 0.00 0.00 +0.143 A BRANCH 11 14 ATOM 14 C LIG 1 2.784 1.756 -1.057 0.00 0.00 +0.178 C BRANCH 14 15 ATOM 15 C LIG 1 3.835 0.802 -0.544 0.00 0.00 -0.026 A ATOM 16 C LIG 1 4.449 -0.118 -1.408 0.00 0.00 +0.005 A ATOM 17 C LIG 1 5.421 -0.997 -0.928 0.00 0.00 +0.000 A ATOM 18 C LIG 1 5.791 -0.966 0.415 0.00 0.00 +0.000 A ATOM 19 C LIG 1 5.190 -0.056 1.282 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.218 0.825 0.806 0.00 0.00 +0.005 A ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 2 9 BRANCH 1 21 ATOM 21 O LIG 1 -3.094 1.519 -0.295 0.00 0.00 -0.406 OA BRANCH 21 23 ATOM 22 C LIG 1 -4.686 2.702 -1.469 0.00 0.00 +0.147 C ATOM 23 N LIG 1 -4.477 1.972 -0.225 0.00 0.00 -0.158 NA ATOM 24 H LIG 1 -4.425 2.637 0.547 0.00 0.00 +0.167 HD ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 5