REMARK Name = BDB062557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.010 -2.297 -0.096 0.00 0.00 -0.144 OA ATOM 2 N LIG 1 -0.307 -1.080 -0.042 0.00 0.00 -0.042 N ATOM 3 N LIG 1 -1.713 -0.661 0.024 0.00 0.00 -0.204 N ATOM 4 C LIG 1 -1.737 0.737 0.073 0.00 0.00 +0.158 A ATOM 5 C LIG 1 -3.013 1.357 0.141 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -4.124 0.592 0.155 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -4.056 -0.863 0.102 0.00 0.00 +0.020 A ATOM 8 N LIG 1 -0.493 1.222 0.045 0.00 0.00 -0.205 NA ATOM 9 C LIG 1 -2.853 -1.459 0.038 0.00 0.00 +0.116 A ATOM 10 C LIG 1 0.376 0.094 -0.026 0.00 0.00 +0.204 A ENDROOT BRANCH 10 11 ATOM 11 C LIG 1 1.820 0.238 -0.074 0.00 0.00 +0.041 A ATOM 12 C LIG 1 2.384 1.513 -0.050 0.00 0.00 +0.122 A ATOM 13 N LIG 1 3.717 1.772 -0.090 0.00 0.00 -0.263 NA ATOM 14 C LIG 1 4.537 0.706 -0.157 0.00 0.00 +0.111 A ATOM 15 C LIG 1 4.087 -0.603 -0.186 0.00 0.00 +0.020 A ATOM 16 C LIG 1 2.711 -0.836 -0.144 0.00 0.00 +0.014 A ENDBRANCH 10 11 TORSDOF 1