REMARK Name = BDB002250 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 1.181 2.061 -2.925 0.00 0.00 -0.267 OA ATOM 2 C LIG 1 1.139 1.474 -1.851 0.00 0.00 +0.257 C ATOM 3 N LIG 1 2.333 1.090 -1.223 0.00 0.00 -0.266 N ATOM 4 C LIG 1 2.597 0.679 0.083 0.00 0.00 +0.076 A ATOM 5 C LIG 1 3.958 0.361 0.077 0.00 0.00 +0.089 A ATOM 6 C LIG 1 4.570 -0.123 1.244 0.00 0.00 +0.030 A ATOM 7 C LIG 1 3.808 -0.256 2.408 0.00 0.00 +0.002 A ATOM 8 C LIG 1 2.462 0.099 2.413 0.00 0.00 +0.002 A ATOM 9 N LIG 1 4.526 0.606 -1.141 0.00 0.00 -0.235 NA ATOM 10 C LIG 1 1.832 0.580 1.258 0.00 0.00 +0.028 A ATOM 11 C LIG 1 3.550 1.079 -1.877 0.00 0.00 +0.207 A ENDROOT BRANCH 2 12 ATOM 12 C LIG 1 -0.143 1.133 -1.204 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -0.483 -0.148 -0.991 0.00 0.00 +0.013 C BRANCH 13 14 ATOM 14 C LIG 1 -1.761 -0.567 -0.399 0.00 0.00 -0.023 A ATOM 15 C LIG 1 -2.973 0.067 -0.704 0.00 0.00 +0.040 A ATOM 16 C LIG 1 -4.166 -0.394 -0.126 0.00 0.00 +0.127 A ATOM 17 C LIG 1 -4.165 -1.489 0.746 0.00 0.00 +0.033 A ATOM 18 C LIG 1 -2.961 -2.128 1.036 0.00 0.00 +0.003 A ATOM 19 C LIG 1 -1.770 -1.673 0.464 0.00 0.00 +0.008 A BRANCH 16 20 ATOM 20 N LIG 1 -5.431 0.281 -0.441 0.00 0.00 +0.056 N ATOM 21 O LIG 1 -6.476 -0.213 0.007 0.00 0.00 -0.126 OA ATOM 22 O LIG 1 -5.379 1.308 -1.132 0.00 0.00 -0.126 OA ENDBRANCH 16 20 ENDBRANCH 13 14 ENDBRANCH 2 12 TORSDOF 3