REMARK Name = BDB001941 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.094 -0.387 -1.536 0.00 0.00 +0.019 A ATOM 2 C LIG 1 -1.452 0.014 -1.379 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 -2.246 -1.123 -1.354 0.00 0.00 +0.102 A ATOM 4 N LIG 1 -1.391 -2.196 -1.498 0.00 0.00 -0.356 N ATOM 5 H LIG 1 -1.700 -3.161 -1.512 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 -0.096 -1.766 -1.587 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 3.238 0.697 -0.725 0.00 0.00 +0.220 A ATOM 8 N LIG 1 2.093 0.004 -0.749 0.00 0.00 -0.214 NA ATOM 9 C LIG 1 1.125 0.408 -1.601 0.00 0.00 +0.080 A ATOM 10 C LIG 1 1.268 1.484 -2.458 0.00 0.00 -0.006 A ATOM 11 C LIG 1 0.236 1.952 -3.427 0.00 0.00 +0.047 C ATOM 12 C LIG 1 2.477 2.134 -2.343 0.00 0.00 +0.120 A ATOM 13 N LIG 1 3.458 1.766 -1.499 0.00 0.00 -0.222 NA BRANCH 7 14 ATOM 14 N LIG 1 4.178 0.231 0.190 0.00 0.00 -0.283 N ATOM 15 H LIG 1 3.791 -0.584 0.639 0.00 0.00 +0.155 HD BRANCH 14 17 ATOM 16 C LIG 1 6.172 -0.063 1.572 0.00 0.00 -0.026 A ATOM 17 C LIG 1 5.518 0.539 0.469 0.00 0.00 +0.037 A ATOM 18 C LIG 1 6.240 1.482 -0.281 0.00 0.00 +0.023 A ATOM 19 C LIG 1 7.568 1.799 0.016 0.00 0.00 +0.002 A ATOM 20 C LIG 1 8.208 1.185 1.083 0.00 0.00 +0.000 A ATOM 21 C LIG 1 7.515 0.260 1.856 0.00 0.00 +0.005 A BRANCH 16 23 ATOM 22 C LIG 1 5.561 -2.484 1.901 0.00 0.00 +0.009 C ATOM 23 C LIG 1 5.493 -1.075 2.473 0.00 0.00 +0.033 C ENDBRANCH 16 23 ENDBRANCH 14 17 ENDBRANCH 7 14 ENDBRANCH 1 9 BRANCH 3 24 ATOM 24 C LIG 1 -3.673 -1.318 -1.219 0.00 0.00 +0.261 C ATOM 25 N LIG 1 -4.395 -0.177 -0.949 0.00 0.00 -0.301 N ATOM 26 H LIG 1 -3.875 0.625 -0.625 0.00 0.00 +0.150 HD ATOM 27 O LIG 1 -4.193 -2.423 -1.335 0.00 0.00 -0.269 OA BRANCH 25 28 ATOM 28 CA LIG 1 -5.808 -0.242 -0.581 0.00 0.00 +0.129 C BRANCH 28 29 ATOM 29 C LIG 1 -5.937 -0.331 0.929 0.00 0.00 -0.024 A ATOM 30 C LIG 1 -5.827 0.794 1.761 0.00 0.00 +0.025 A ATOM 31 C LIG 1 -5.926 0.660 3.148 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 -5.794 2.055 4.148 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 -6.125 -0.589 3.728 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -6.220 -1.717 2.916 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -6.121 -1.589 1.529 0.00 0.00 +0.005 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 36 C LIG 1 -6.564 0.951 -1.205 0.00 0.00 +0.182 C BRANCH 36 37 ATOM 37 O LIG 1 -6.532 0.883 -2.633 0.00 0.00 -0.393 OA ATOM 38 H LIG 1 -5.649 0.552 -2.881 0.00 0.00 +0.209 HD ENDBRANCH 36 37 ENDBRANCH 28 36 ENDBRANCH 25 28 ENDBRANCH 3 24 TORSDOF 9