REMARK Name = BDB006286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.380 -1.005 0.243 0.00 0.00 -0.229 N ATOM 2 C LIG 1 0.607 0.123 -0.115 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.651 -0.167 0.382 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -2.028 0.362 0.531 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.747 -0.788 1.174 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.886 -1.916 1.330 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -2.122 -3.022 1.788 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.602 -1.472 0.833 0.00 0.00 +0.154 A ATOM 9 N LIG 1 0.577 -2.045 0.646 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.083 -0.707 1.585 0.00 0.00 +0.055 A ATOM 11 C LIG 1 -4.789 0.442 1.528 0.00 0.00 +0.112 A ATOM 12 N LIG 1 -6.112 0.541 1.931 0.00 0.00 -0.315 N ATOM 13 C LIG 1 -6.774 1.834 1.825 0.00 0.00 +0.152 C ATOM 14 C LIG 1 -6.828 -0.546 2.438 0.00 0.00 +0.270 A ATOM 15 O LIG 1 -7.997 -0.476 2.809 0.00 0.00 -0.266 OA ATOM 16 C LIG 1 -6.061 -1.827 2.499 0.00 0.00 +0.107 A ATOM 17 CL LIG 1 -6.867 -3.231 3.090 0.00 0.00 -0.078 Cl ATOM 18 C LIG 1 -4.783 -1.877 2.095 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.719 -0.339 0.636 0.00 0.00 +0.245 A ATOM 20 C LIG 1 2.766 -1.238 0.234 0.00 0.00 +0.145 A ATOM 21 C LIG 1 3.250 -2.481 -0.096 0.00 0.00 +0.147 A ATOM 22 N LIG 1 4.565 -2.781 -0.136 0.00 0.00 -0.220 NA ATOM 23 C LIG 1 5.441 -1.822 0.203 0.00 0.00 +0.220 A ATOM 24 N LIG 1 5.043 -0.602 0.599 0.00 0.00 -0.178 NA BRANCH 23 25 ATOM 25 N LIG 1 6.805 -2.110 0.178 0.00 0.00 -0.306 N ATOM 26 C LIG 1 7.165 -3.273 -0.617 0.00 0.00 +0.132 C ATOM 27 C LIG 1 7.671 -0.948 0.075 0.00 0.00 +0.132 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 28 C LIG 1 4.384 1.627 1.734 0.00 0.00 +0.279 C ATOM 29 O LIG 1 3.314 0.853 1.197 0.00 0.00 -0.478 OA ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 4 30 ATOM 30 C LIG 1 -2.522 0.705 -0.864 0.00 0.00 -0.022 A ATOM 31 C LIG 1 -2.663 2.055 -1.232 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -3.116 2.408 -2.506 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.439 1.417 -3.436 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -3.308 0.071 -3.085 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.854 -0.282 -1.811 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -3.901 1.780 -4.744 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.273 2.082 -5.801 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 0.987 1.299 -0.988 0.00 0.00 +0.032 C ATOM 39 C LIG 1 1.054 2.615 -0.214 0.00 0.00 +0.014 C ATOM 40 C LIG 1 2.185 1.111 -1.913 0.00 0.00 +0.014 C ENDBRANCH 2 38 TORSDOF 7