REMARK Name = BDB031249 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 7.276 -0.783 0.744 0.00 0.00 -0.247 OA ATOM 2 C LIG 1 6.141 -0.437 0.471 0.00 0.00 +0.325 A ATOM 3 N LIG 1 4.952 -1.016 0.940 0.00 0.00 -0.306 N ATOM 4 H LIG 1 4.923 -1.800 1.571 0.00 0.00 +0.170 HD ATOM 5 C LIG 1 3.874 -0.328 0.394 0.00 0.00 +0.067 A ATOM 6 C LIG 1 4.378 0.684 -0.418 0.00 0.00 +0.067 A ATOM 7 C LIG 1 3.561 1.547 -1.103 0.00 0.00 +0.028 A ATOM 8 C LIG 1 2.180 1.360 -0.946 0.00 0.00 +0.010 A ATOM 9 C LIG 1 1.644 0.330 -0.119 0.00 0.00 -0.016 A ATOM 10 C LIG 1 2.524 -0.532 0.564 0.00 0.00 +0.036 A ATOM 11 N LIG 1 5.766 0.619 -0.373 0.00 0.00 -0.306 N ATOM 12 H LIG 1 6.423 1.213 -0.851 0.00 0.00 +0.170 HD ENDROOT BRANCH 9 13 ATOM 13 C LIG 1 0.187 0.170 0.017 0.00 0.00 -0.018 A ATOM 14 C LIG 1 -0.438 -1.052 -0.266 0.00 0.00 +0.010 A ATOM 15 C LIG 1 -1.825 -1.208 -0.138 0.00 0.00 +0.027 A ATOM 16 C LIG 1 -2.627 -0.139 0.282 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -2.010 1.086 0.568 0.00 0.00 +0.027 A ATOM 18 C LIG 1 -0.623 1.235 0.436 0.00 0.00 +0.010 A BRANCH 16 19 ATOM 19 N LIG 1 -4.044 -0.295 0.415 0.00 0.00 -0.323 N ATOM 20 C LIG 1 -4.949 0.673 0.816 0.00 0.00 +0.091 A ATOM 21 C LIG 1 -6.220 0.142 0.820 0.00 0.00 +0.019 A ATOM 22 C LIG 1 -6.112 -1.199 0.410 0.00 0.00 +0.019 A ATOM 23 C LIG 1 -4.777 -1.443 0.169 0.00 0.00 +0.091 A ENDBRANCH 16 19 ENDBRANCH 9 13 TORSDOF 2