REMARK Name = BDB011889 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.316 -1.406 -1.330 0.00 0.00 +0.237 C ATOM 2 N LIG 1 -0.617 -1.424 -0.323 0.00 0.00 -0.280 N ATOM 3 C LIG 1 -2.041 -1.699 -0.658 0.00 0.00 +0.193 C ATOM 4 C LIG 1 -2.639 -2.064 0.676 0.00 0.00 -0.014 A ATOM 5 C LIG 1 -1.683 -1.935 1.687 0.00 0.00 -0.025 A ATOM 6 C LIG 1 -1.996 -2.208 3.009 0.00 0.00 +0.005 A ATOM 7 C LIG 1 -3.295 -2.623 3.310 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -4.255 -2.757 2.295 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -3.930 -2.478 0.966 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -0.377 -1.486 1.120 0.00 0.00 +0.144 C ATOM 11 O LIG 1 -0.072 -1.408 -2.506 0.00 0.00 -0.274 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -2.809 -0.511 -1.302 0.00 0.00 +0.242 C ATOM 13 N LIG 1 -2.136 0.696 -1.216 0.00 0.00 -0.280 N ATOM 14 H LIG 1 -1.138 0.606 -1.066 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -3.922 -0.674 -1.798 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 -2.585 1.968 -1.642 0.00 0.00 +0.088 A ATOM 17 C LIG 1 -1.617 2.940 -1.957 0.00 0.00 +0.065 A ATOM 18 CL LIG 1 0.077 2.586 -1.835 0.00 0.00 -0.082 Cl ATOM 19 C LIG 1 -1.986 4.217 -2.396 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -3.333 4.552 -2.510 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -4.303 3.614 -2.168 0.00 0.00 +0.040 A ATOM 22 C LIG 1 -3.931 2.340 -1.731 0.00 0.00 +0.146 A ATOM 23 F LIG 1 -4.915 1.532 -1.317 0.00 0.00 -0.203 F ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 24 ATOM 24 C LIG 1 1.839 -1.291 -1.058 0.00 0.00 +0.162 C BRANCH 24 26 ATOM 25 C LIG 1 2.414 0.387 0.765 0.00 0.00 +0.230 C ATOM 26 N LIG 1 2.184 0.041 -0.545 0.00 0.00 -0.302 N ATOM 27 H LIG 1 2.114 0.791 -1.223 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 2.321 -0.411 1.696 0.00 0.00 -0.274 OA BRANCH 25 29 ATOM 29 C LIG 1 2.722 1.892 1.006 0.00 0.00 +0.137 C ATOM 30 C LIG 1 3.845 2.398 0.106 0.00 0.00 +0.034 C BRANCH 29 32 ATOM 31 C LIG 1 2.615 3.305 2.985 0.00 0.00 +0.101 C ATOM 32 N LIG 1 3.132 2.070 2.416 0.00 0.00 -0.309 NA ATOM 33 H LIG 1 2.773 1.272 2.953 0.00 0.00 +0.122 HD ENDBRANCH 29 32 ENDBRANCH 25 29 ENDBRANCH 24 26 BRANCH 24 34 ATOM 34 C LIG 1 2.526 -2.511 -0.399 0.00 0.00 +0.012 C ATOM 35 C LIG 1 2.058 -3.827 -1.031 0.00 0.00 +0.009 C ATOM 36 C LIG 1 4.054 -2.416 -0.527 0.00 0.00 +0.009 C ENDBRANCH 24 34 ENDBRANCH 1 24 TORSDOF 7