REMARK Name = BDB027014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.259 0.204 -2.079 0.00 0.00 +0.186 C ATOM 2 O LIG 1 -1.919 0.560 -3.065 0.00 0.00 -0.290 OA ENDROOT BRANCH 1 7 ATOM 3 C LIG 1 3.644 0.702 0.333 0.00 0.00 +0.019 A ATOM 4 C LIG 1 3.049 1.900 -0.090 0.00 0.00 +0.037 A ATOM 5 C LIG 1 1.825 1.848 -0.768 0.00 0.00 +0.048 A ATOM 6 C LIG 1 1.142 0.654 -1.023 0.00 0.00 +0.010 A ATOM 7 C LIG 1 -0.095 1.005 -1.666 0.00 0.00 +0.044 A ATOM 8 C LIG 1 -0.059 2.381 -1.854 0.00 0.00 +0.095 A ATOM 9 C LIG 1 1.769 -0.544 -0.621 0.00 0.00 +0.011 A ATOM 10 N LIG 1 1.082 2.876 -1.295 0.00 0.00 -0.360 N ATOM 11 H LIG 1 1.348 3.853 -1.264 0.00 0.00 +0.165 HD ATOM 12 C LIG 1 3.002 -0.509 0.049 0.00 0.00 +0.012 A BRANCH 3 17 ATOM 13 C LIG 1 7.890 -0.755 2.543 0.00 0.00 +0.065 C ATOM 14 C LIG 1 6.806 0.134 2.072 0.00 0.00 +0.033 A ATOM 15 N LIG 1 5.731 -0.304 1.340 0.00 0.00 -0.342 N ATOM 16 H LIG 1 5.569 -1.253 1.039 0.00 0.00 +0.167 HD ATOM 17 C LIG 1 4.910 0.773 1.071 0.00 0.00 +0.138 A ATOM 18 N LIG 1 5.443 1.870 1.582 0.00 0.00 -0.236 NA ATOM 19 C LIG 1 6.604 1.487 2.204 0.00 0.00 +0.134 A ENDBRANCH 3 17 ENDBRANCH 1 7 BRANCH 1 20 ATOM 20 C LIG 1 -1.727 -1.036 -1.266 0.00 0.00 +0.156 C BRANCH 20 21 ATOM 21 C LIG 1 -1.049 -2.338 -1.694 0.00 0.00 -0.023 A ATOM 22 C LIG 1 -0.736 -2.577 -3.046 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -0.156 -3.781 -3.449 0.00 0.00 +0.000 A ATOM 24 C LIG 1 0.109 -4.775 -2.513 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -0.218 -4.572 -1.175 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -0.803 -3.371 -0.771 0.00 0.00 +0.005 A ENDBRANCH 20 21 BRANCH 20 27 ATOM 27 N LIG 1 -1.671 -0.806 0.206 0.00 0.00 -0.303 NA ATOM 28 H LIG 1 -0.714 -0.565 0.458 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 -2.563 0.263 0.671 0.00 0.00 +0.086 C BRANCH 29 30 ATOM 30 C LIG 1 -4.032 -0.167 0.764 0.00 0.00 +0.050 C BRANCH 30 31 ATOM 31 C LIG 1 -4.923 1.006 1.109 0.00 0.00 -0.046 A ATOM 32 C LIG 1 -5.251 1.288 2.440 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -6.054 2.391 2.747 0.00 0.00 +0.020 A ATOM 34 C LIG 1 -6.527 3.216 1.726 0.00 0.00 +0.041 A ATOM 35 CL LIG 1 -7.513 4.574 2.107 0.00 0.00 -0.084 Cl ATOM 36 C LIG 1 -6.205 2.950 0.400 0.00 0.00 +0.020 A ATOM 37 C LIG 1 -5.402 1.849 0.093 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 20 27 ENDBRANCH 1 20 TORSDOF 8