REMARK Name = BDB002706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.415 -0.735 0.104 0.00 0.00 +0.118 A ATOM 2 C LIG 1 0.129 -0.292 -0.157 0.00 0.00 +0.137 A ATOM 3 N LIG 1 -0.681 -1.436 -0.232 0.00 0.00 -0.181 N ATOM 4 C LIG 1 -2.083 -1.561 -0.396 0.00 0.00 +0.280 C ATOM 5 O LIG 1 -2.546 -2.663 -0.701 0.00 0.00 -0.265 OA ATOM 6 N LIG 1 0.075 -2.571 -0.122 0.00 0.00 -0.170 NA ATOM 7 C LIG 1 1.310 -2.136 0.112 0.00 0.00 +0.151 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -3.056 -0.459 -0.236 0.00 0.00 +0.041 A ATOM 9 C LIG 1 -4.033 -0.275 -1.221 0.00 0.00 +0.013 A ATOM 10 C LIG 1 -4.973 0.747 -1.085 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -4.946 1.574 0.039 0.00 0.00 +0.000 A ATOM 12 C LIG 1 -3.988 1.374 1.034 0.00 0.00 +0.001 A ATOM 13 C LIG 1 -3.046 0.352 0.904 0.00 0.00 +0.013 A ENDBRANCH 4 8 BRANCH 2 14 ATOM 14 N LIG 1 -0.302 0.987 -0.328 0.00 0.00 -0.342 N ATOM 15 H LIG 1 0.406 1.726 -0.386 0.00 0.00 +0.144 HD ATOM 16 H LIG 1 -1.121 1.218 -0.889 0.00 0.00 +0.144 HD ENDBRANCH 2 14 BRANCH 1 17 ATOM 17 C LIG 1 2.601 0.079 0.287 0.00 0.00 +0.344 C ATOM 18 O LIG 1 2.603 1.301 0.185 0.00 0.00 -0.245 OA BRANCH 17 19 ATOM 19 O LIG 1 3.703 -0.674 0.572 0.00 0.00 -0.461 OA BRANCH 19 21 ATOM 20 C LIG 1 5.616 0.282 -0.562 0.00 0.00 +0.048 C ATOM 21 C LIG 1 4.925 0.051 0.768 0.00 0.00 +0.229 C ENDBRANCH 19 21 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 5