REMARK Name = BDB049903 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.867 1.028 1.530 0.00 0.00 +0.149 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.292 0.016 1.389 0.00 0.00 +0.231 C ATOM 3 N LIG 1 -1.077 0.257 0.276 0.00 0.00 -0.301 N ATOM 4 H LIG 1 -0.555 0.728 -0.465 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.510 -0.884 2.194 0.00 0.00 -0.274 OA BRANCH 3 6 ATOM 6 C LIG 1 -2.089 -0.707 -0.149 0.00 0.00 +0.182 C BRANCH 6 7 ATOM 7 C LIG 1 -1.487 -1.606 -1.237 0.00 0.00 +0.327 C ATOM 8 O LIG 1 -0.560 -1.286 -1.974 0.00 0.00 -0.249 OA BRANCH 7 9 ATOM 9 O LIG 1 -2.171 -2.785 -1.310 0.00 0.00 -0.467 OA ATOM 10 C LIG 1 -1.723 -3.654 -2.356 0.00 0.00 +0.280 C ENDBRANCH 7 9 ENDBRANCH 6 7 BRANCH 6 11 ATOM 11 C LIG 1 -3.332 -0.000 -0.710 0.00 0.00 +0.036 C BRANCH 11 12 ATOM 12 C LIG 1 -4.056 0.938 0.281 0.00 0.00 -0.015 C ATOM 13 C LIG 1 -4.533 0.205 1.535 0.00 0.00 +0.007 C ATOM 14 C LIG 1 -5.242 1.602 -0.422 0.00 0.00 +0.007 C ENDBRANCH 11 12 ENDBRANCH 6 11 ENDBRANCH 3 6 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 N LIG 1 1.533 1.208 0.209 0.00 0.00 -0.305 NA ATOM 16 H LIG 1 2.174 2.005 0.297 0.00 0.00 +0.123 HD BRANCH 15 17 ATOM 17 C LIG 1 2.303 0.039 -0.231 0.00 0.00 +0.081 C BRANCH 17 18 ATOM 18 C LIG 1 2.856 0.282 -1.639 0.00 0.00 +0.015 C BRANCH 18 20 ATOM 19 C LIG 1 4.181 -0.728 -3.534 0.00 0.00 +0.004 C ATOM 20 C LIG 1 3.666 -0.926 -2.118 0.00 0.00 -0.002 C ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 15 17 ENDBRANCH 1 15 BRANCH 1 21 ATOM 21 C LIG 1 1.766 0.651 2.713 0.00 0.00 +0.126 C BRANCH 21 22 ATOM 22 C LIG 1 2.792 1.714 3.019 0.00 0.00 +0.237 C ATOM 23 N LIG 1 3.494 1.477 4.177 0.00 0.00 -0.197 N ATOM 24 H LIG 1 3.553 0.564 4.617 0.00 0.00 +0.182 HD ATOM 25 O LIG 1 3.008 2.700 2.319 0.00 0.00 -0.274 OA BRANCH 23 26 ATOM 26 O LIG 1 4.554 2.374 4.445 0.00 0.00 -0.295 OA ATOM 27 H LIG 1 4.510 2.989 3.678 0.00 0.00 +0.241 HD ENDBRANCH 23 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 13