REMARK Name = BDB002670 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.654 -0.605 -0.366 0.00 0.00 -0.300 N ATOM 2 H LIG 1 0.535 -1.157 -1.208 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.968 -0.393 -0.007 0.00 0.00 +0.109 A ATOM 4 N LIG 1 2.955 -0.771 -0.878 0.00 0.00 -0.296 N ATOM 5 H LIG 1 2.709 -1.156 -1.779 0.00 0.00 +0.172 HD ATOM 6 C LIG 1 4.295 -0.649 -0.651 0.00 0.00 +0.328 A ATOM 7 O LIG 1 5.124 -1.000 -1.485 0.00 0.00 -0.247 OA ATOM 8 N LIG 1 4.652 -0.118 0.548 0.00 0.00 -0.275 N ATOM 9 H LIG 1 5.635 -0.018 0.743 0.00 0.00 +0.173 HD ATOM 10 C LIG 1 3.769 0.276 1.508 0.00 0.00 +0.256 A ATOM 11 O LIG 1 4.123 0.746 2.583 0.00 0.00 -0.268 OA ATOM 12 C LIG 1 2.344 0.106 1.183 0.00 0.00 +0.112 A ENDBRANCH 1 3 BRANCH 1 17 ATOM 13 C LIG 1 -4.317 -0.124 -0.023 0.00 0.00 +0.044 C ATOM 14 C LIG 1 -2.920 0.431 0.052 0.00 0.00 -0.046 A ATOM 15 C LIG 1 -1.777 -0.380 -0.158 0.00 0.00 -0.026 A ATOM 16 C LIG 1 -1.937 -1.849 -0.473 0.00 0.00 +0.046 C ATOM 17 C LIG 1 -0.483 0.201 -0.109 0.00 0.00 +0.036 A ATOM 18 C LIG 1 -0.363 1.563 0.206 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -1.488 2.348 0.448 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -2.757 1.787 0.368 0.00 0.00 +0.004 A ENDBRANCH 1 17 TORSDOF 2