REMARK Name = BDB059636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.335 -0.638 0.271 0.00 0.00 +0.045 A ATOM 2 C LIG 1 0.628 -1.774 0.003 0.00 0.00 +0.279 A ATOM 3 O LIG 1 0.355 -2.960 0.129 0.00 0.00 -0.265 OA ATOM 4 N LIG 1 1.909 -1.377 -0.414 0.00 0.00 -0.179 N ATOM 5 C LIG 1 2.311 -0.068 -0.571 0.00 0.00 +0.156 A ATOM 6 C LIG 1 3.619 -0.104 -0.985 0.00 0.00 +0.114 A ATOM 7 C LIG 1 3.935 -1.472 -1.053 0.00 0.00 +0.156 A ATOM 8 N LIG 1 1.415 0.907 -0.307 0.00 0.00 -0.338 N ATOM 9 H LIG 1 1.649 1.899 -0.376 0.00 0.00 +0.167 HD ATOM 10 N LIG 1 2.908 -2.256 -0.709 0.00 0.00 -0.169 NA ATOM 11 C LIG 1 0.116 0.636 0.115 0.00 0.00 +0.060 A ENDROOT BRANCH 11 12 ATOM 12 C LIG 1 -0.701 1.785 0.365 0.00 0.00 +0.036 A ATOM 13 C LIG 1 -1.089 2.721 -0.567 0.00 0.00 +0.114 A ATOM 14 N LIG 1 -1.835 3.639 0.115 0.00 0.00 -0.284 N ATOM 15 H LIG 1 -2.298 4.468 -0.246 0.00 0.00 +0.188 HD ATOM 16 N LIG 1 -1.936 3.376 1.430 0.00 0.00 -0.182 NA ATOM 17 C LIG 1 -1.239 2.247 1.583 0.00 0.00 +0.144 A ENDBRANCH 11 12 BRANCH 1 19 ATOM 18 C LIG 1 -2.469 -1.863 -0.390 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -1.752 -1.029 0.678 0.00 0.00 +0.020 C ATOM 20 C LIG 1 -1.794 -1.718 2.045 0.00 0.00 +0.012 C ENDBRANCH 1 19 BRANCH 6 21 ATOM 21 C LIG 1 4.461 1.002 -1.280 0.00 0.00 +0.104 C ATOM 22 N LIG 1 5.136 1.914 -1.521 0.00 0.00 -0.191 NA ENDBRANCH 6 21 TORSDOF 3