REMARK Name = BDB051972 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.399 -2.933 -0.358 0.00 0.00 +0.141 C ATOM 2 N LIG 1 -2.120 -2.288 -0.190 0.00 0.00 -0.242 N ATOM 3 C LIG 1 -1.857 -0.953 -0.132 0.00 0.00 +0.190 C ATOM 4 N LIG 1 -0.595 -0.656 -0.021 0.00 0.00 -0.213 NA ATOM 5 C LIG 1 0.057 -1.867 -0.004 0.00 0.00 +0.130 C ATOM 6 C LIG 1 1.371 -2.108 0.084 0.00 0.00 +0.041 C ATOM 7 C LIG 1 -0.938 -2.967 -0.121 0.00 0.00 +0.271 C ATOM 8 O LIG 1 -0.725 -4.164 -0.150 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 9 ATOM 9 C LIG 1 2.446 -1.109 0.192 0.00 0.00 -0.019 A ATOM 10 C LIG 1 2.291 0.095 0.895 0.00 0.00 +0.057 A ATOM 11 C LIG 1 3.370 0.952 0.973 0.00 0.00 +0.167 A ATOM 12 O LIG 1 3.386 2.154 1.611 0.00 0.00 -0.453 OA ATOM 13 C LIG 1 4.739 2.580 1.351 0.00 0.00 +0.466 C ATOM 14 O LIG 1 5.508 1.626 0.591 0.00 0.00 -0.453 OA ATOM 15 C LIG 1 4.580 0.651 0.395 0.00 0.00 +0.166 A ATOM 16 C LIG 1 4.780 -0.525 -0.292 0.00 0.00 +0.050 A ATOM 17 C LIG 1 3.702 -1.412 -0.387 0.00 0.00 +0.012 A ENDBRANCH 6 9 BRANCH 3 18 ATOM 18 N LIG 1 -2.868 -0.039 -0.185 0.00 0.00 -0.315 N ATOM 19 H LIG 1 -3.787 -0.373 0.068 0.00 0.00 +0.149 HD BRANCH 18 20 ATOM 20 C LIG 1 -2.623 1.371 0.092 0.00 0.00 +0.119 C BRANCH 20 21 ATOM 21 C LIG 1 -3.883 2.203 -0.210 0.00 0.00 +0.096 C BRANCH 21 22 ATOM 22 N LIG 1 -3.715 3.621 0.103 0.00 0.00 -0.329 NA ATOM 23 H LIG 1 -3.527 3.742 1.098 0.00 0.00 +0.118 HD ATOM 24 H LIG 1 -4.584 4.118 -0.089 0.00 0.00 +0.118 HD ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 3 18 TORSDOF 5