REMARK Name = BDB005266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.051 0.946 0.435 0.00 0.00 +0.149 A ATOM 2 N LIG 1 1.201 0.455 -0.561 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.050 0.810 -0.167 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.446 0.675 -0.621 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.135 1.386 0.499 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.224 1.975 1.422 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.440 2.727 2.357 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.075 1.536 0.971 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.371 1.654 1.337 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.547 1.578 0.521 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.309 1.565 1.711 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.755 1.234 3.072 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.695 1.822 1.649 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.338 2.030 0.432 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.598 1.985 -0.739 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.380 2.223 -2.255 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.222 1.759 -0.700 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.890 -0.765 -0.785 0.00 0.00 -0.021 A ATOM 19 C LIG 1 -2.322 -1.226 -2.040 0.00 0.00 +0.007 A ATOM 20 C LIG 1 -2.725 -2.553 -2.212 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.701 -3.431 -1.131 0.00 0.00 +0.041 A ATOM 22 CL LIG 1 -3.193 -5.065 -1.346 0.00 0.00 -0.084 Cl ATOM 23 C LIG 1 -2.279 -2.994 0.121 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -1.876 -1.668 0.294 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 26 ATOM 25 C LIG 1 4.125 -0.395 0.878 0.00 0.00 +0.230 A ATOM 26 C LIG 1 3.492 0.771 0.497 0.00 0.00 +0.097 A ATOM 27 C LIG 1 4.348 1.818 0.235 0.00 0.00 +0.131 A ATOM 28 N LIG 1 5.694 1.718 0.266 0.00 0.00 -0.222 NA ATOM 29 C LIG 1 6.194 0.534 0.625 0.00 0.00 +0.216 A ATOM 30 N LIG 1 5.467 -0.545 0.918 0.00 0.00 -0.179 NA BRANCH 29 31 ATOM 31 N LIG 1 7.565 0.407 0.651 0.00 0.00 -0.327 N ATOM 32 H LIG 1 7.995 1.110 0.066 0.00 0.00 +0.145 HD ATOM 33 H LIG 1 7.839 -0.555 0.515 0.00 0.00 +0.145 HD ENDBRANCH 29 31 BRANCH 25 35 ATOM 34 C LIG 1 4.051 -2.551 1.805 0.00 0.00 +0.279 C ATOM 35 O LIG 1 3.328 -1.476 1.214 0.00 0.00 -0.479 OA ENDBRANCH 25 35 ENDBRANCH 1 26 BRANCH 2 36 ATOM 36 C LIG 1 1.513 -0.217 -1.819 0.00 0.00 +0.083 C ATOM 37 C LIG 1 2.564 0.503 -2.663 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.841 -1.697 -1.647 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6