REMARK Name = BDB001944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.347 0.960 0.053 0.00 0.00 +0.019 A ATOM 2 C LIG 1 0.710 1.492 -0.735 0.00 0.00 +0.042 A ATOM 3 CA LIG 1 1.847 0.717 -0.547 0.00 0.00 +0.102 A ATOM 4 N LIG 1 1.477 -0.304 0.302 0.00 0.00 -0.356 N ATOM 5 H LIG 1 2.068 -1.075 0.581 0.00 0.00 +0.165 HD ATOM 6 C LIG 1 0.167 -0.163 0.671 0.00 0.00 +0.093 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.179 3.876 0.335 0.00 0.00 +0.047 C ATOM 8 C LIG 1 -2.111 2.711 0.321 0.00 0.00 -0.006 A ATOM 9 C LIG 1 -1.736 1.385 0.202 0.00 0.00 +0.080 A ATOM 10 N LIG 1 -2.624 0.364 0.219 0.00 0.00 -0.214 NA ATOM 11 C LIG 1 -3.925 0.660 0.326 0.00 0.00 +0.220 A ATOM 12 N LIG 1 -4.382 1.914 0.421 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 -3.472 2.905 0.414 0.00 0.00 +0.120 A BRANCH 11 14 ATOM 14 N LIG 1 -4.780 -0.434 0.329 0.00 0.00 -0.281 N ATOM 15 H LIG 1 -4.250 -1.290 0.229 0.00 0.00 +0.155 HD BRANCH 14 16 ATOM 16 C LIG 1 -6.164 -0.592 0.407 0.00 0.00 +0.080 A ATOM 17 C LIG 1 -6.706 -1.872 0.365 0.00 0.00 +0.187 A ATOM 18 O LIG 1 -5.986 -3.029 0.249 0.00 0.00 -0.451 OA ATOM 19 C LIG 1 -7.042 -4.010 0.255 0.00 0.00 +0.466 C ATOM 20 O LIG 1 -8.360 -3.439 0.378 0.00 0.00 -0.453 OA ATOM 21 C LIG 1 -8.060 -2.114 0.439 0.00 0.00 +0.168 A ATOM 22 C LIG 1 -8.972 -1.091 0.560 0.00 0.00 +0.050 A ATOM 23 C LIG 1 -8.473 0.211 0.607 0.00 0.00 +0.006 A ATOM 24 C LIG 1 -7.085 0.455 0.532 0.00 0.00 +0.027 A ENDBRANCH 14 16 ENDBRANCH 11 14 ENDBRANCH 1 9 BRANCH 3 25 ATOM 25 C LIG 1 3.145 0.906 -1.160 0.00 0.00 +0.261 C ATOM 26 N LIG 1 4.168 0.172 -0.603 0.00 0.00 -0.301 N ATOM 27 H LIG 1 4.037 -0.223 0.316 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 3.338 1.670 -2.099 0.00 0.00 -0.269 OA BRANCH 26 29 ATOM 29 CA LIG 1 5.550 0.353 -1.040 0.00 0.00 +0.129 C BRANCH 29 30 ATOM 30 C LIG 1 6.481 -0.224 0.017 0.00 0.00 -0.024 A ATOM 31 C LIG 1 6.709 -1.605 0.139 0.00 0.00 +0.025 A ATOM 32 C LIG 1 7.543 -2.098 1.145 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 7.808 -3.793 1.279 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 8.154 -1.231 2.046 0.00 0.00 +0.020 A ATOM 35 C LIG 1 7.928 0.140 1.946 0.00 0.00 +0.002 A ATOM 36 C LIG 1 7.095 0.639 0.942 0.00 0.00 +0.005 A ENDBRANCH 29 30 BRANCH 29 37 ATOM 37 C LIG 1 5.797 -0.204 -2.466 0.00 0.00 +0.182 C BRANCH 37 38 ATOM 38 O LIG 1 5.218 -1.499 -2.647 0.00 0.00 -0.393 OA ATOM 39 H LIG 1 4.256 -1.373 -2.553 0.00 0.00 +0.209 HD ENDBRANCH 37 38 ENDBRANCH 29 37 ENDBRANCH 26 29 ENDBRANCH 3 25 TORSDOF 8