REMARK Name = BDB035706 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.521 -0.793 0.200 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.693 -1.376 0.582 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.940 -2.311 1.321 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.759 -0.640 -0.110 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.126 -0.840 -0.048 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.947 -0.001 -0.812 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.357 1.004 -1.621 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.963 1.194 -1.671 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.177 0.347 -0.896 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.308 0.296 -0.743 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.265 -0.874 0.564 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.964 -0.529 0.139 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.819 -1.172 0.642 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.008 -2.181 1.591 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.287 -2.533 2.030 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.408 -1.883 1.523 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.469 -0.153 -0.032 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 5.523 -2.411 -2.192 0.00 0.00 +0.151 C ATOM 19 N LIG 1 6.603 -2.053 -1.312 0.00 0.00 -0.320 N ATOM 20 C LIG 1 6.617 -1.078 -0.345 0.00 0.00 +0.141 A ATOM 21 N LIG 1 7.796 -1.104 0.248 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 8.553 -2.091 -0.334 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 7.824 -2.651 -1.268 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 5.934 1.027 0.840 0.00 0.00 +0.007 C ATOM 25 C LIG 1 6.323 0.864 2.343 0.00 0.00 +0.024 C ATOM 26 C LIG 1 5.864 2.330 2.534 0.00 0.00 +0.081 C ATOM 27 CL LIG 1 5.155 2.818 4.096 0.00 0.00 -0.122 Cl ATOM 28 C LIG 1 4.916 2.102 1.329 0.00 0.00 +0.024 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.339 2.263 -2.526 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.632 3.163 -1.789 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -2.232 2.984 -3.255 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.451 1.747 -3.422 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.452 -0.178 -0.795 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.112 1.056 -0.360 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.668 1.364 0.505 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.573 0.896 -0.252 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -7.931 0.127 1.052 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.960 1.238 1.351 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.122 2.174 0.454 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.282 0.522 -1.542 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8