REMARK Name = BDB006130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.964 0.575 -0.006 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -2.472 0.898 -1.374 0.00 0.00 -0.254 N ATOM 3 C LIG 1 -1.447 0.993 -2.343 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -1.547 1.131 -3.553 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 -0.228 0.921 -1.569 0.00 0.00 +0.153 A ATOM 6 N LIG 1 1.065 1.046 -1.842 0.00 0.00 -0.165 NA ATOM 7 N LIG 1 1.646 0.884 -0.621 0.00 0.00 -0.258 N ATOM 8 C LIG 1 0.730 0.730 0.419 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -0.492 0.696 -0.218 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.412 -0.138 2.587 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.923 -1.182 1.620 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.246 -0.869 0.415 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -1.863 -1.946 -0.423 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.134 -3.275 -0.088 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.805 -3.560 1.090 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -3.152 -5.192 1.508 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -3.202 -2.528 1.935 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -3.846 0.787 -1.699 0.00 0.00 +0.042 A ATOM 19 C LIG 1 -4.841 1.495 -0.993 0.00 0.00 -0.029 A ATOM 20 C LIG 1 -4.535 2.570 0.014 0.00 0.00 +0.045 C ATOM 21 C LIG 1 -6.195 1.252 -1.290 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -6.559 0.368 -2.305 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -5.571 -0.274 -3.041 0.00 0.00 +0.043 A ATOM 24 CL LIG 1 -6.016 -1.352 -4.306 0.00 0.00 -0.083 Cl ATOM 25 C LIG 1 -4.225 -0.064 -2.750 0.00 0.00 +0.043 A ENDBRANCH 2 18 BRANCH 8 26 ATOM 26 C LIG 1 1.129 0.636 1.866 0.00 0.00 +0.032 C ATOM 27 C LIG 1 0.754 -0.710 2.481 0.00 0.00 +0.014 C ATOM 28 C LIG 1 0.534 1.791 2.671 0.00 0.00 +0.014 C ENDBRANCH 8 26 BRANCH 7 29 ATOM 29 C LIG 1 3.093 1.042 -0.541 0.00 0.00 +0.239 C BRANCH 29 30 ATOM 30 C LIG 1 3.823 -0.272 -0.325 0.00 0.00 +0.238 C ATOM 31 N LIG 1 5.206 -0.267 -0.522 0.00 0.00 -0.290 N ATOM 32 C LIG 1 5.928 0.849 -1.149 0.00 0.00 +0.203 C ATOM 33 C LIG 1 7.461 0.827 -1.042 0.00 0.00 +0.230 C ATOM 34 O LIG 1 8.152 1.786 -1.382 0.00 0.00 -0.274 OA ATOM 35 N LIG 1 8.057 -0.339 -0.637 0.00 0.00 -0.313 N ATOM 36 H LIG 1 9.062 -0.274 -0.523 0.00 0.00 +0.149 HD ATOM 37 C LIG 1 7.324 -1.368 0.066 0.00 0.00 +0.123 C ATOM 38 C LIG 1 5.915 -1.547 -0.491 0.00 0.00 +0.127 C ATOM 39 O LIG 1 3.245 -1.290 0.059 0.00 0.00 -0.274 OA ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 5