REMARK Name = BDB016128 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.316 -1.919 -2.058 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.610 -1.010 -0.862 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -1.344 -0.558 -0.318 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.611 -0.377 -1.000 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -1.242 0.279 0.800 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -2.328 0.865 1.491 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -2.097 1.548 2.704 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -0.816 1.700 3.225 0.00 0.00 +0.002 A ATOM 9 C LIG 1 0.265 1.162 2.545 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -3.678 0.892 1.079 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.351 1.268 1.736 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.266 0.622 -0.115 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -5.483 0.796 -0.228 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 0.065 0.455 1.350 0.00 0.00 -0.002 A ATOM 15 C LIG 1 -3.446 0.177 -1.284 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 1.246 -0.166 0.714 0.00 0.00 +0.010 C ATOM 17 C LIG 1 2.276 0.557 0.248 0.00 0.00 +0.008 C BRANCH 17 18 ATOM 18 C LIG 1 3.469 -0.011 -0.399 0.00 0.00 -0.022 A ATOM 19 C LIG 1 3.442 -1.205 -1.123 0.00 0.00 +0.027 A ATOM 20 C LIG 1 4.612 -1.646 -1.722 0.00 0.00 +0.111 A ATOM 21 N LIG 1 5.786 -0.985 -1.658 0.00 0.00 -0.263 NA ATOM 22 C LIG 1 5.789 0.173 -0.966 0.00 0.00 +0.111 A ATOM 23 C LIG 1 4.671 0.696 -0.333 0.00 0.00 +0.027 A ENDBRANCH 17 18 ENDBRANCH 14 16 TORSDOF 2