REMARK Name = BDB027781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.117 0.455 -0.002 0.00 0.00 +0.201 A ATOM 2 N LIG 1 1.351 1.769 -0.135 0.00 0.00 -0.223 NA ATOM 3 C LIG 1 0.276 2.552 -0.313 0.00 0.00 +0.095 A ATOM 4 C LIG 1 -1.031 2.059 -0.349 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.105 2.954 -0.568 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.837 4.302 -0.722 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -0.595 4.811 -0.674 0.00 0.00 -0.261 NA ATOM 8 C LIG 1 -1.156 0.670 -0.171 0.00 0.00 +0.131 A ATOM 9 C LIG 1 0.415 3.922 -0.476 0.00 0.00 +0.139 A ATOM 10 N LIG 1 -0.086 -0.127 -0.014 0.00 0.00 -0.209 NA ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.635 -1.796 0.565 0.00 0.00 +0.069 C ATOM 12 C LIG 1 4.206 -1.436 0.431 0.00 0.00 +0.081 A ATOM 13 N LIG 1 3.264 -2.385 0.495 0.00 0.00 -0.083 NA ATOM 14 O LIG 1 2.056 -1.724 0.334 0.00 0.00 -0.351 OA ATOM 15 C LIG 1 2.280 -0.389 0.177 0.00 0.00 +0.204 A ATOM 16 C LIG 1 3.636 -0.160 0.232 0.00 0.00 +0.079 A ENDBRANCH 1 15 BRANCH 8 17 ATOM 17 N LIG 1 -2.455 0.084 -0.180 0.00 0.00 -0.323 N ATOM 18 H LIG 1 -3.025 0.575 0.504 0.00 0.00 +0.148 HD BRANCH 17 19 ATOM 19 C LIG 1 -2.579 -1.396 -0.108 0.00 0.00 +0.031 C ATOM 20 C LIG 1 -2.306 -2.103 1.201 0.00 0.00 +0.027 C ATOM 21 C LIG 1 -3.717 -1.965 0.715 0.00 0.00 +0.027 C ATOM 22 C LIG 1 -2.246 -2.125 -1.390 0.00 0.00 +0.031 C ENDBRANCH 17 19 ENDBRANCH 8 17 TORSDOF 3