REMARK Name = BDB026944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -1.003 -0.190 -2.109 0.00 0.00 -0.290 OA ATOM 2 C LIG 1 -1.015 -0.858 -1.071 0.00 0.00 +0.186 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 0.221 -1.018 -0.284 0.00 0.00 +0.044 A ATOM 4 C LIG 1 1.475 -0.351 -0.505 0.00 0.00 +0.010 A ATOM 5 C LIG 1 2.369 -0.790 0.467 0.00 0.00 +0.049 A ATOM 6 C LIG 1 3.695 -0.334 0.552 0.00 0.00 +0.049 A ATOM 7 C LIG 1 4.155 0.609 -0.379 0.00 0.00 +0.038 A ATOM 8 C LIG 1 3.264 1.058 -1.365 0.00 0.00 +0.024 A ATOM 9 N LIG 1 1.702 -1.700 1.250 0.00 0.00 -0.360 N ATOM 10 H LIG 1 2.117 -2.190 2.032 0.00 0.00 +0.165 HD ATOM 11 C LIG 1 1.939 0.594 -1.439 0.00 0.00 +0.012 A ATOM 12 C LIG 1 0.410 -1.842 0.814 0.00 0.00 +0.095 A BRANCH 7 13 ATOM 13 N LIG 1 5.491 1.100 -0.337 0.00 0.00 -0.271 N ATOM 14 C LIG 1 6.423 0.898 0.694 0.00 0.00 +0.220 C ATOM 15 O LIG 1 6.316 0.251 1.725 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 7.657 1.706 0.364 0.00 0.00 +0.098 C ATOM 17 C LIG 1 7.517 1.958 -1.123 0.00 0.00 +0.029 C ATOM 18 C LIG 1 6.018 2.009 -1.329 0.00 0.00 +0.114 C ENDBRANCH 7 13 ENDBRANCH 2 3 BRANCH 2 19 ATOM 19 C LIG 1 -2.314 -1.543 -0.550 0.00 0.00 +0.156 C BRANCH 19 20 ATOM 20 C LIG 1 -2.416 -2.978 -1.056 0.00 0.00 -0.023 A ATOM 21 C LIG 1 -2.369 -3.264 -2.430 0.00 0.00 +0.005 A ATOM 22 C LIG 1 -2.470 -4.579 -2.887 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -2.627 -5.623 -1.978 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -2.689 -5.354 -0.613 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.589 -4.039 -0.153 0.00 0.00 +0.005 A ENDBRANCH 19 20 BRANCH 19 26 ATOM 26 N LIG 1 -3.540 -0.801 -0.941 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -4.356 -1.358 -0.696 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.647 0.540 -0.357 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.981 0.546 1.143 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.156 1.950 1.672 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.040 2.703 2.063 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.198 4.007 2.537 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -4.472 4.564 2.619 0.00 0.00 +0.041 A ATOM 34 CL LIG 1 -4.668 6.170 3.204 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 -5.589 3.829 2.228 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -5.432 2.525 1.753 0.00 0.00 +0.005 A ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 19 26 ENDBRANCH 2 19 TORSDOF 8