REMARK Name = BDB056372 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.442 -0.958 -1.282 0.00 0.00 +0.102 A ATOM 2 C LIG 1 -0.899 -0.772 -1.008 0.00 0.00 +0.137 A ATOM 3 N LIG 1 -2.023 -1.245 -1.653 0.00 0.00 -0.307 N ATOM 4 H LIG 1 -1.956 -1.836 -2.476 0.00 0.00 +0.170 HD ATOM 5 C LIG 1 -3.291 -0.938 -1.210 0.00 0.00 +0.259 A ATOM 6 C LIG 1 -3.404 -0.072 -0.004 0.00 0.00 +0.063 A ATOM 7 C LIG 1 -2.257 0.406 0.646 0.00 0.00 +0.060 A ATOM 8 C LIG 1 -2.371 1.218 1.779 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -3.640 1.551 2.258 0.00 0.00 +0.002 A ATOM 10 C LIG 1 -4.786 1.078 1.615 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -4.671 0.267 0.485 0.00 0.00 +0.015 A ATOM 12 O LIG 1 -4.288 -1.361 -1.786 0.00 0.00 -0.267 OA ATOM 13 N LIG 1 -1.008 0.032 0.108 0.00 0.00 -0.300 N ATOM 14 C LIG 1 0.256 0.358 0.541 0.00 0.00 +0.103 A ATOM 15 C LIG 1 1.181 -0.240 -0.299 0.00 0.00 +0.020 A ENDROOT BRANCH 15 16 ATOM 16 C LIG 1 2.617 -0.102 -0.111 0.00 0.00 -0.015 A ATOM 17 C LIG 1 3.446 -1.230 -0.127 0.00 0.00 +0.008 A ATOM 18 C LIG 1 4.826 -1.095 0.049 0.00 0.00 +0.001 A ATOM 19 C LIG 1 5.386 0.166 0.241 0.00 0.00 +0.000 A ATOM 20 C LIG 1 4.569 1.295 0.259 0.00 0.00 +0.001 A ATOM 21 C LIG 1 3.190 1.162 0.084 0.00 0.00 +0.008 A ENDBRANCH 15 16 BRANCH 1 23 ATOM 22 N LIG 1 1.357 -2.364 -3.255 0.00 0.00 -0.191 NA ATOM 23 C LIG 1 0.959 -1.725 -2.372 0.00 0.00 +0.103 C ENDBRANCH 1 23 TORSDOF 2