REMARK Name = BDB031357 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.552 -0.826 1.242 0.00 0.00 -0.299 N ATOM 2 H LIG 1 0.586 -1.734 1.698 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 1.771 -0.495 0.614 0.00 0.00 +0.034 A ATOM 4 C LIG 1 2.944 -0.561 1.388 0.00 0.00 +0.051 A ATOM 5 C LIG 1 4.130 -0.224 0.777 0.00 0.00 +0.069 A ATOM 6 C LIG 1 4.194 0.168 -0.556 0.00 0.00 +0.067 A ATOM 7 N LIG 1 5.522 0.436 -0.862 0.00 0.00 -0.306 N ATOM 8 H LIG 1 5.899 0.740 -1.745 0.00 0.00 +0.170 HD ATOM 9 C LIG 1 6.302 0.215 0.283 0.00 0.00 +0.325 A ATOM 10 O LIG 1 7.508 0.353 0.380 0.00 0.00 -0.247 OA ATOM 11 C LIG 1 3.075 0.241 -1.347 0.00 0.00 +0.029 A ATOM 12 N LIG 1 5.421 -0.195 1.294 0.00 0.00 -0.306 N ATOM 13 H LIG 1 5.711 -0.423 2.231 0.00 0.00 +0.170 HD ATOM 14 C LIG 1 1.854 -0.096 -0.745 0.00 0.00 +0.025 A ENDBRANCH 1 3 BRANCH 1 18 ATOM 15 C LIG 1 -3.437 -0.261 0.195 0.00 0.00 +0.077 A ATOM 16 C LIG 1 -2.948 -1.404 0.807 0.00 0.00 +0.127 A ATOM 17 N LIG 1 -1.644 -1.589 1.145 0.00 0.00 -0.239 NA ATOM 18 C LIG 1 -0.771 -0.602 0.853 0.00 0.00 +0.123 A ATOM 19 C LIG 1 -1.185 0.587 0.259 0.00 0.00 +0.044 A ATOM 20 C LIG 1 -2.529 0.759 -0.080 0.00 0.00 +0.020 A BRANCH 15 21 ATOM 21 C LIG 1 -4.880 -0.188 -0.117 0.00 0.00 +0.340 C ATOM 22 O LIG 1 -5.668 -1.085 0.134 0.00 0.00 -0.245 OA BRANCH 21 24 ATOM 23 C LIG 1 -6.561 1.142 -1.043 0.00 0.00 +0.280 C ATOM 24 O LIG 1 -5.180 0.994 -0.710 0.00 0.00 -0.464 OA ENDBRANCH 21 24 ENDBRANCH 15 21 ENDBRANCH 1 18 TORSDOF 4