REMARK Name = BDB056972 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.820 -0.242 0.716 0.00 0.00 +0.250 C ATOM 2 N LIG 1 0.405 -0.062 0.102 0.00 0.00 -0.281 N ATOM 3 H LIG 1 0.392 0.155 -0.886 0.00 0.00 +0.155 HD ATOM 4 O LIG 1 -1.030 -0.391 1.914 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 11 ATOM 5 C LIG 1 -5.329 1.325 -0.222 0.00 0.00 +0.152 C ATOM 6 N LIG 1 -4.175 0.577 -0.697 0.00 0.00 -0.318 N ATOM 7 C LIG 1 -4.212 -0.004 -1.963 0.00 0.00 +0.251 A ATOM 8 O LIG 1 -5.151 0.069 -2.751 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -2.999 -0.776 -2.356 0.00 0.00 +0.071 A ATOM 10 C LIG 1 -1.946 -0.858 -1.532 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.964 -0.190 -0.248 0.00 0.00 +0.053 A ATOM 12 C LIG 1 -3.067 0.474 0.134 0.00 0.00 +0.101 A ENDBRANCH 1 11 BRANCH 2 13 ATOM 13 C LIG 1 1.679 -0.078 0.710 0.00 0.00 +0.034 A ATOM 14 C LIG 1 2.780 0.192 -0.112 0.00 0.00 +0.038 A ATOM 15 C LIG 1 4.082 0.192 0.411 0.00 0.00 +0.061 A ATOM 16 C LIG 1 4.286 -0.082 1.766 0.00 0.00 +0.015 A ATOM 17 C LIG 1 3.193 -0.355 2.587 0.00 0.00 +0.003 A ATOM 18 C LIG 1 1.897 -0.353 2.061 0.00 0.00 +0.023 A BRANCH 15 19 ATOM 19 C LIG 1 5.204 0.486 -0.511 0.00 0.00 +0.337 C ATOM 20 O LIG 1 5.099 0.724 -1.700 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 6.402 0.467 0.097 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 7.037 0.675 -0.620 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 15 19 ENDBRANCH 2 13 TORSDOF 4