REMARK Name = BDB008240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.709 -1.090 -0.227 0.00 0.00 +0.128 A ATOM 2 N LIG 1 0.320 -0.822 -1.048 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 1.183 0.159 -0.717 0.00 0.00 +0.128 A ATOM 4 C LIG 1 1.045 0.912 0.435 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -0.037 0.648 1.272 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.921 -0.379 0.943 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -0.218 1.398 2.508 0.00 0.00 +0.077 A ATOM 8 N LIG 1 -0.911 2.599 2.664 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -0.817 2.908 4.028 0.00 0.00 +0.139 A ATOM 10 C LIG 1 -1.445 4.095 4.492 0.00 0.00 +0.047 A ATOM 11 C LIG 1 -2.107 4.884 3.630 0.00 0.00 +0.005 A ATOM 12 C LIG 1 -2.195 4.550 2.223 0.00 0.00 +0.021 A ATOM 13 N LIG 1 -0.133 2.009 4.699 0.00 0.00 -0.232 NA ATOM 14 C LIG 1 -1.608 3.429 1.748 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -1.700 3.090 0.291 0.00 0.00 +0.064 C ATOM 16 C LIG 1 0.252 1.077 3.775 0.00 0.00 +0.065 A ATOM 17 C LIG 1 1.066 -0.090 4.192 0.00 0.00 +0.068 C ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -1.556 -2.970 -1.609 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -1.616 -2.104 -0.533 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -2.364 -2.313 0.122 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -0.707 -2.995 -2.493 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -2.785 -3.921 -1.621 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -2.455 -5.210 -2.372 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.581 -4.677 -0.145 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.215 -4.171 -0.216 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -2.584 -4.867 0.191 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.207 0.330 -1.643 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.164 -0.317 -2.426 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 3.238 1.237 -1.638 0.00 0.00 +0.268 C ATOM 30 O LIG 1 3.454 2.101 -0.795 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 4.152 1.098 -2.819 0.00 0.00 +0.126 A ATOM 32 N LIG 1 3.834 0.123 -3.717 0.00 0.00 -0.249 NA ATOM 33 C LIG 1 4.658 -0.004 -4.786 0.00 0.00 +0.131 A ATOM 34 C LIG 1 5.777 0.789 -4.999 0.00 0.00 +0.059 A ATOM 35 CL LIG 1 6.768 0.562 -6.381 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 6.078 1.777 -4.067 0.00 0.00 +0.024 A ATOM 37 C LIG 1 5.253 1.939 -2.954 0.00 0.00 +0.034 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6