REMARK Name = BDB019656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.040 1.132 -0.392 0.00 0.00 +0.077 A ATOM 2 N LIG 1 0.243 1.257 -0.794 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 0.776 0.234 -1.517 0.00 0.00 +0.126 A ATOM 4 C LIG 1 0.073 -0.900 -1.896 0.00 0.00 +0.038 A ATOM 5 C LIG 1 -1.262 -1.009 -1.504 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.820 0.028 -0.740 0.00 0.00 +0.033 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 -0.953 2.662 1.605 0.00 0.00 +0.224 A ATOM 8 C LIG 1 -1.563 2.240 0.413 0.00 0.00 +0.063 A ATOM 9 C LIG 1 -2.709 2.944 0.006 0.00 0.00 +0.036 A ATOM 10 C LIG 1 -3.188 4.003 0.771 0.00 0.00 +0.060 A ATOM 11 CL LIG 1 -4.585 4.871 0.281 0.00 0.00 -0.082 Cl ATOM 12 C LIG 1 -2.512 4.337 1.930 0.00 0.00 +0.134 A ATOM 13 N LIG 1 -1.407 3.690 2.367 0.00 0.00 -0.219 NA BRANCH 7 15 ATOM 14 C LIG 1 0.753 2.502 3.217 0.00 0.00 +0.279 C ATOM 15 O LIG 1 0.151 1.957 2.047 0.00 0.00 -0.479 OA ENDBRANCH 7 15 ENDBRANCH 1 8 BRANCH 3 16 ATOM 16 C LIG 1 2.228 0.377 -1.859 0.00 0.00 +0.263 C ATOM 17 N LIG 1 2.786 1.555 -1.410 0.00 0.00 -0.306 N ATOM 18 H LIG 1 2.175 2.118 -0.822 0.00 0.00 +0.149 HD ATOM 19 O LIG 1 2.841 -0.501 -2.454 0.00 0.00 -0.269 OA BRANCH 17 20 ATOM 20 C LIG 1 4.208 1.759 -1.341 0.00 0.00 +0.140 C BRANCH 20 21 ATOM 21 C LIG 1 4.720 1.379 0.026 0.00 0.00 -0.029 A ATOM 22 C LIG 1 4.653 2.291 1.091 0.00 0.00 +0.026 A ATOM 23 C LIG 1 5.075 1.921 2.373 0.00 0.00 +0.060 A ATOM 24 CL LIG 1 4.948 3.102 3.629 0.00 0.00 -0.082 Cl ATOM 25 C LIG 1 5.567 0.632 2.600 0.00 0.00 +0.059 A ATOM 26 CL LIG 1 6.104 0.106 4.157 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 5.629 -0.283 1.547 0.00 0.00 +0.022 A ATOM 28 C LIG 1 5.202 0.086 0.269 0.00 0.00 +0.007 A ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 3 16 BRANCH 5 29 ATOM 29 C LIG 1 -2.086 -2.213 -1.889 0.00 0.00 +0.139 C BRANCH 29 30 ATOM 30 N LIG 1 -2.584 -2.866 -0.695 0.00 0.00 -0.313 N ATOM 31 H LIG 1 -1.849 -3.015 -0.007 0.00 0.00 +0.149 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.347 -3.977 -0.762 0.00 0.00 +0.176 C ATOM 33 N LIG 1 -4.335 -4.015 -1.692 0.00 0.00 -0.316 N ATOM 34 H LIG 1 -4.837 -3.140 -1.778 0.00 0.00 +0.149 HD ATOM 35 C LIG 1 -5.165 -5.159 -1.372 0.00 0.00 +0.127 C ATOM 36 C LIG 1 -4.254 -5.948 -0.426 0.00 0.00 +0.163 C ATOM 37 N LIG 1 -3.208 -4.994 0.036 0.00 0.00 -0.255 NA ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 8