REMARK Name = BDB035508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.937 -0.961 -0.183 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -2.532 -0.912 -0.063 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -1.698 -1.851 -0.686 0.00 0.00 +0.037 A ATOM 4 C LIG 1 -2.308 -2.860 -1.445 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -3.698 -2.924 -1.579 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -4.507 -1.979 -0.956 0.00 0.00 +0.005 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.282 -1.794 -0.559 0.00 0.00 -0.263 N ATOM 8 C LIG 1 0.456 -0.839 0.147 0.00 0.00 +0.251 C ATOM 9 O LIG 1 0.110 0.135 0.790 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.872 -1.196 -0.004 0.00 0.00 +0.044 A ATOM 11 C LIG 1 1.956 -2.338 -0.789 0.00 0.00 +0.001 A ATOM 12 C LIG 1 3.191 -2.877 -1.085 0.00 0.00 +0.047 A ATOM 13 C LIG 1 4.338 -2.254 -0.580 0.00 0.00 +0.025 A ATOM 14 C LIG 1 4.246 -1.095 0.226 0.00 0.00 -0.031 A ATOM 15 CL LIG 1 3.336 -4.284 -2.059 0.00 0.00 -0.083 Cl ATOM 16 C LIG 1 2.985 -0.554 0.513 0.00 0.00 +0.018 A ATOM 17 C LIG 1 0.591 -2.780 -1.185 0.00 0.00 +0.151 C BRANCH 14 18 ATOM 18 C LIG 1 5.504 -0.432 0.744 0.00 0.00 +0.117 C BRANCH 18 19 ATOM 19 N LIG 1 6.188 0.269 -0.343 0.00 0.00 -0.307 NA ATOM 20 H LIG 1 5.508 0.860 -0.821 0.00 0.00 +0.123 HD BRANCH 19 21 ATOM 21 C LIG 1 7.384 0.991 0.124 0.00 0.00 +0.017 C ATOM 22 C LIG 1 7.839 1.925 -1.038 0.00 0.00 +0.022 C ATOM 23 C LIG 1 7.981 3.050 0.009 0.00 0.00 +0.004 C ATOM 24 C LIG 1 6.967 2.282 0.883 0.00 0.00 +0.022 C ATOM 25 C LIG 1 8.477 0.112 0.706 0.00 0.00 +0.027 C ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 26 C LIG 1 -4.792 0.104 0.505 0.00 0.00 +0.117 C BRANCH 26 29 ATOM 27 C LIG 1 -5.665 1.507 3.138 0.00 0.00 +0.151 C ATOM 28 N LIG 1 -6.103 0.212 2.695 0.00 0.00 -0.320 N ATOM 29 C LIG 1 -5.743 -0.450 1.544 0.00 0.00 +0.145 A ATOM 30 N LIG 1 -6.404 -1.595 1.510 0.00 0.00 -0.134 NA ATOM 31 N LIG 1 -7.182 -1.684 2.639 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -6.990 -0.593 3.340 0.00 0.00 +0.224 A ENDBRANCH 26 29 BRANCH 26 33 ATOM 33 C LIG 1 -5.466 1.045 -0.497 0.00 0.00 -0.033 A ATOM 34 C LIG 1 -4.749 2.143 -1.004 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -5.332 3.015 -1.925 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.637 2.798 -2.361 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -7.357 1.706 -1.882 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -6.776 0.832 -0.961 0.00 0.00 +0.004 A ENDBRANCH 26 33 ENDBRANCH 1 26 TORSDOF 7