REMARK Name = BDB012695 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.021 0.832 -0.568 0.00 0.00 -0.262 N ATOM 2 C LIG 1 -0.480 2.107 -0.642 0.00 0.00 +0.071 A ATOM 3 C LIG 1 -1.852 1.958 -0.448 0.00 0.00 +0.044 A ATOM 4 C LIG 1 -2.671 3.105 -0.467 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -2.074 4.347 -0.679 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -0.704 4.478 -0.868 0.00 0.00 +0.040 A ATOM 7 F LIG 1 -2.844 5.444 -0.698 0.00 0.00 -0.205 F ATOM 8 C LIG 1 -2.060 0.555 -0.264 0.00 0.00 +0.153 A ATOM 9 C LIG 1 0.127 3.354 -0.853 0.00 0.00 +0.031 A ATOM 10 N LIG 1 -0.907 -0.111 -0.338 0.00 0.00 -0.155 NA ENDROOT BRANCH 8 11 ATOM 11 N LIG 1 -3.294 0.039 -0.044 0.00 0.00 -0.296 N ATOM 12 H LIG 1 -4.078 0.693 -0.019 0.00 0.00 +0.154 HD BRANCH 11 13 ATOM 13 C LIG 1 -3.743 -1.284 0.169 0.00 0.00 +0.065 A ATOM 14 C LIG 1 -5.107 -1.581 0.378 0.00 0.00 +0.083 A ATOM 15 C LIG 1 -5.524 -2.905 0.587 0.00 0.00 +0.036 A ATOM 16 C LIG 1 -4.576 -3.907 0.583 0.00 0.00 +0.111 A ATOM 17 N LIG 1 -3.268 -3.678 0.389 0.00 0.00 -0.261 NA ATOM 18 C LIG 1 -2.888 -2.388 0.189 0.00 0.00 +0.134 A BRANCH 14 19 ATOM 19 C LIG 1 -6.196 -0.567 0.399 0.00 0.00 +0.339 C ATOM 20 O LIG 1 -7.378 -0.803 0.576 0.00 0.00 -0.245 OA BRANCH 19 21 ATOM 21 O LIG 1 -5.786 0.702 0.199 0.00 0.00 -0.477 OA ATOM 22 H LIG 1 -6.629 1.207 0.247 0.00 0.00 +0.295 HD ENDBRANCH 19 21 ENDBRANCH 14 19 ENDBRANCH 11 13 ENDBRANCH 8 11 BRANCH 1 23 ATOM 23 C LIG 1 1.411 0.426 -0.705 0.00 0.00 +0.144 C BRANCH 23 24 ATOM 24 C LIG 1 2.117 0.365 0.648 0.00 0.00 +0.024 C BRANCH 24 25 ATOM 25 C LIG 1 3.619 0.082 0.537 0.00 0.00 +0.017 C BRANCH 25 26 ATOM 26 C LIG 1 3.929 -1.315 -0.022 0.00 0.00 +0.084 C BRANCH 26 28 ATOM 27 C LIG 1 6.143 -0.826 -0.938 0.00 0.00 +0.104 C ATOM 28 N LIG 1 5.346 -1.696 -0.079 0.00 0.00 -0.308 NA ATOM 29 C LIG 1 5.954 -1.833 1.241 0.00 0.00 +0.104 C ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 9