REMARK Name = BDB059226 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.123 1.700 0.415 0.00 0.00 +0.268 C ATOM 2 N LIG 1 -1.408 1.708 -0.141 0.00 0.00 -0.288 N ATOM 3 O LIG 1 0.226 2.581 1.206 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 17 ATOM 4 C LIG 1 2.128 -1.874 -2.005 0.00 0.00 +0.173 C ATOM 5 N LIG 1 1.897 -0.931 -0.937 0.00 0.00 -0.266 N ATOM 6 C LIG 1 2.563 -0.799 0.246 0.00 0.00 +0.079 A ATOM 7 C LIG 1 3.704 -1.470 0.844 0.00 0.00 +0.043 A ATOM 8 C LIG 1 3.938 -1.192 2.210 0.00 0.00 +0.130 A ATOM 9 O LIG 1 3.159 -0.351 2.978 0.00 0.00 -0.487 OA ATOM 10 C LIG 1 2.296 0.595 2.294 0.00 0.00 +0.269 C ATOM 11 C LIG 1 4.989 -1.810 2.890 0.00 0.00 +0.048 A ATOM 12 C LIG 1 5.837 -2.685 2.213 0.00 0.00 +0.023 A ATOM 13 C LIG 1 5.625 -2.938 0.859 0.00 0.00 +0.042 A ATOM 14 CL LIG 1 6.681 -4.010 0.021 0.00 0.00 -0.084 Cl ATOM 15 C LIG 1 4.568 -2.337 0.171 0.00 0.00 +0.033 A ATOM 16 C LIG 1 1.883 0.175 0.937 0.00 0.00 +0.047 A ATOM 17 C LIG 1 0.831 0.614 0.096 0.00 0.00 +0.154 A ATOM 18 N LIG 1 0.879 -0.053 -1.074 0.00 0.00 -0.166 NA ENDBRANCH 1 17 BRANCH 2 19 ATOM 19 C LIG 1 -1.966 0.644 -0.976 0.00 0.00 +0.143 C BRANCH 19 20 ATOM 20 C LIG 1 -2.228 -0.646 -0.224 0.00 0.00 -0.030 A ATOM 21 C LIG 1 -2.792 -0.650 1.061 0.00 0.00 +0.006 A ATOM 22 C LIG 1 -3.044 -1.854 1.725 0.00 0.00 +0.015 A ATOM 23 C LIG 1 -2.745 -3.074 1.109 0.00 0.00 +0.059 A ATOM 24 C LIG 1 -2.199 -3.082 -0.178 0.00 0.00 +0.015 A ATOM 25 C LIG 1 -1.949 -1.876 -0.840 0.00 0.00 +0.006 A BRANCH 23 26 ATOM 26 C LIG 1 -3.027 -4.325 1.853 0.00 0.00 +0.337 C ATOM 27 O LIG 1 -3.520 -4.400 2.963 0.00 0.00 -0.245 OA BRANCH 26 28 ATOM 28 O LIG 1 -2.679 -5.430 1.170 0.00 0.00 -0.477 OA ATOM 29 H LIG 1 -2.917 -6.162 1.777 0.00 0.00 +0.295 HD ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 2 19 BRANCH 2 30 ATOM 30 C LIG 1 -2.251 2.878 0.086 0.00 0.00 +0.143 C BRANCH 30 31 ATOM 31 C LIG 1 -2.310 3.784 -1.122 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -3.487 3.900 -1.877 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.532 4.734 -2.995 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -2.404 5.462 -3.370 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -1.230 5.357 -2.628 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.182 4.523 -1.510 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 7