REMARK Name = BDB007853 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.571 0.557 0.014 0.00 0.00 +0.125 A ATOM 2 N LIG 1 1.254 0.831 -0.037 0.00 0.00 -0.233 NA ATOM 3 C LIG 1 0.379 -0.198 0.166 0.00 0.00 +0.082 A ATOM 4 C LIG 1 -1.068 0.090 -0.083 0.00 0.00 +0.167 C ATOM 5 N LIG 1 -1.971 -0.819 0.599 0.00 0.00 -0.276 N ATOM 6 C LIG 1 -1.636 -2.175 0.694 0.00 0.00 +0.314 C ATOM 7 N LIG 1 -0.265 -2.491 0.640 0.00 0.00 -0.222 N ATOM 8 O LIG 1 -2.512 -3.022 0.887 0.00 0.00 -0.252 OA ATOM 9 C LIG 1 0.752 -1.507 0.439 0.00 0.00 +0.066 A ATOM 10 C LIG 1 2.126 -1.763 0.417 0.00 0.00 +0.029 A ATOM 11 C LIG 1 3.044 -0.726 0.218 0.00 0.00 +0.046 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -3.405 -0.464 0.685 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -4.121 -0.643 -0.664 0.00 0.00 +0.041 C ATOM 14 C LIG 1 -5.450 0.098 -0.676 0.00 0.00 +0.109 C ATOM 15 N LIG 1 -5.266 1.534 -0.471 0.00 0.00 -0.302 N ATOM 16 C LIG 1 -6.199 2.401 -1.026 0.00 0.00 +0.212 C ATOM 17 O LIG 1 -7.200 2.007 -1.623 0.00 0.00 -0.276 OA ATOM 18 C LIG 1 -5.943 3.879 -0.868 0.00 0.00 +0.109 C ATOM 19 C LIG 1 -4.108 1.964 0.312 0.00 0.00 +0.109 C ATOM 20 C LIG 1 -3.671 0.911 1.326 0.00 0.00 +0.041 C ENDBRANCH 5 12 BRANCH 7 21 ATOM 21 C LIG 1 0.118 -3.839 0.927 0.00 0.00 +0.044 A ATOM 22 C LIG 1 -0.393 -4.888 0.152 0.00 0.00 +0.044 A ATOM 23 C LIG 1 -0.045 -6.207 0.444 0.00 0.00 +0.043 A ATOM 24 CL LIG 1 -0.657 -7.487 -0.531 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 0.796 -6.499 1.516 0.00 0.00 +0.020 A ATOM 26 C LIG 1 1.285 -5.465 2.312 0.00 0.00 +0.003 A ATOM 27 C LIG 1 0.942 -4.142 2.024 0.00 0.00 +0.024 A ENDBRANCH 7 21 BRANCH 1 29 ATOM 28 C LIG 1 4.751 1.758 -0.155 0.00 0.00 +0.235 C ATOM 29 N LIG 1 3.376 1.676 -0.190 0.00 0.00 -0.269 N ATOM 30 H LIG 1 2.830 2.514 -0.330 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 5.504 0.828 0.129 0.00 0.00 -0.274 OA BRANCH 28 32 ATOM 32 C LIG 1 5.289 3.190 -0.439 0.00 0.00 +0.137 C ATOM 33 C LIG 1 4.771 3.766 -1.758 0.00 0.00 +0.034 C BRANCH 32 35 ATOM 34 C LIG 1 7.475 2.691 -1.480 0.00 0.00 +0.101 C ATOM 35 N LIG 1 6.768 3.231 -0.323 0.00 0.00 -0.309 NA ATOM 36 H LIG 1 7.019 2.653 0.485 0.00 0.00 +0.122 HD ENDBRANCH 32 35 ENDBRANCH 28 32 ENDBRANCH 1 29 TORSDOF 5