REMARK Name = BDB028192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.172 -0.292 -0.934 0.00 0.00 +0.083 A ATOM 2 C LIG 1 -0.900 0.389 -0.585 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -0.837 1.763 -0.795 0.00 0.00 +0.050 A ATOM 4 C LIG 1 0.333 2.471 -0.502 0.00 0.00 +0.014 A ATOM 5 C LIG 1 1.441 1.796 0.016 0.00 0.00 +0.011 A ATOM 6 C LIG 1 1.389 0.417 0.255 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.020 2.466 -1.314 0.00 0.00 +0.272 A ATOM 8 O LIG 1 -2.007 3.675 -1.518 0.00 0.00 -0.266 OA ATOM 9 N LIG 1 -3.130 1.691 -1.546 0.00 0.00 -0.242 N ATOM 10 H LIG 1 -3.957 2.159 -1.904 0.00 0.00 +0.192 HD ATOM 11 C LIG 1 0.212 -0.282 -0.056 0.00 0.00 +0.020 A ATOM 12 N LIG 1 -3.219 0.344 -1.375 0.00 0.00 -0.174 NA ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.543 -0.275 0.821 0.00 0.00 +0.066 A ATOM 14 N LIG 1 2.463 -1.343 1.687 0.00 0.00 -0.344 N ATOM 15 H LIG 1 1.614 -1.763 2.038 0.00 0.00 +0.167 HD ATOM 16 C LIG 1 3.732 -1.718 2.022 0.00 0.00 +0.196 A ATOM 17 N LIG 1 4.627 -0.962 1.434 0.00 0.00 -0.244 NA ATOM 18 C LIG 1 3.904 -0.061 0.694 0.00 0.00 +0.138 A ENDBRANCH 6 13 BRANCH 1 19 ATOM 19 C LIG 1 -2.294 -1.806 -0.775 0.00 0.00 +0.136 C BRANCH 19 20 ATOM 20 N LIG 1 -2.436 -2.137 0.646 0.00 0.00 -0.325 NA ATOM 21 H LIG 1 -2.656 -3.130 0.725 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 -3.267 -1.655 0.999 0.00 0.00 +0.119 HD ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 3