REMARK Name = BDB056435 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -2.003 -0.398 -0.657 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 -0.929 -0.323 -0.099 0.00 0.00 +0.269 C ATOM 3 C LIG 1 -0.562 0.249 1.231 0.00 0.00 +0.130 C ATOM 4 C LIG 1 -1.354 0.876 2.111 0.00 0.00 +0.041 C ATOM 5 N LIG 1 0.791 0.054 1.446 0.00 0.00 -0.213 NA ATOM 6 C LIG 1 1.224 -0.538 0.371 0.00 0.00 +0.192 C ATOM 7 N LIG 1 0.266 -0.778 -0.554 0.00 0.00 -0.253 N ATOM 8 H LIG 1 0.379 -1.289 -1.412 0.00 0.00 +0.158 HD ENDROOT BRANCH 4 9 ATOM 9 C LIG 1 -2.789 1.145 1.990 0.00 0.00 -0.023 A ATOM 10 C LIG 1 -3.724 0.115 1.843 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -5.089 0.403 1.773 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -5.530 1.722 1.862 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -4.608 2.754 2.024 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -3.243 2.466 2.093 0.00 0.00 +0.008 A ENDBRANCH 4 9 BRANCH 6 15 ATOM 15 N LIG 1 2.514 -0.933 0.204 0.00 0.00 -0.287 N ATOM 16 H LIG 1 3.092 -0.781 1.024 0.00 0.00 +0.155 HD BRANCH 15 17 ATOM 17 C LIG 1 3.260 -1.037 -0.984 0.00 0.00 +0.033 A ATOM 18 C LIG 1 4.421 -1.823 -0.973 0.00 0.00 +0.023 A ATOM 19 C LIG 1 5.185 -2.002 -2.130 0.00 0.00 +0.002 A ATOM 20 C LIG 1 4.795 -1.395 -3.320 0.00 0.00 +0.000 A ATOM 21 C LIG 1 3.644 -0.612 -3.350 0.00 0.00 +0.002 A ATOM 22 C LIG 1 2.881 -0.437 -2.191 0.00 0.00 +0.023 A ENDBRANCH 15 17 ENDBRANCH 6 15 TORSDOF 3