REMARK Name = BDB004733 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.634 -0.983 1.412 0.00 0.00 +0.116 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.211 -1.308 0.180 0.00 0.00 -0.024 A ATOM 3 C LIG 1 -1.519 -0.783 0.098 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.336 -1.027 -1.009 0.00 0.00 +0.034 A ATOM 5 C LIG 1 -1.837 -1.808 -2.055 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -0.542 -2.326 -1.999 0.00 0.00 +0.002 A ATOM 7 C LIG 1 0.266 -2.072 -0.892 0.00 0.00 +0.005 A BRANCH 4 8 ATOM 8 N LIG 1 -3.647 -0.521 -1.151 0.00 0.00 -0.281 N ATOM 9 H LIG 1 -4.128 -0.805 -1.994 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -4.352 0.244 -0.241 0.00 0.00 +0.248 C ATOM 11 O LIG 1 -3.992 0.580 0.880 0.00 0.00 -0.270 OA BRANCH 10 12 ATOM 12 C LIG 1 -5.705 0.668 -0.688 0.00 0.00 +0.041 A ATOM 13 C LIG 1 -6.720 0.748 0.265 0.00 0.00 +0.053 A ATOM 14 C LIG 1 -7.964 1.152 -0.167 0.00 0.00 +0.130 A ATOM 15 CL LIG 1 -9.283 1.268 0.922 0.00 0.00 -0.062 Cl ATOM 16 N LIG 1 -8.259 1.480 -1.442 0.00 0.00 -0.244 NA ATOM 17 C LIG 1 -7.251 1.418 -2.335 0.00 0.00 +0.113 A ATOM 18 C LIG 1 -5.965 1.022 -2.014 0.00 0.00 +0.033 A ENDBRANCH 10 12 ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 N LIG 1 1.219 0.370 1.275 0.00 0.00 -0.320 N ATOM 20 H LIG 1 0.482 1.026 1.031 0.00 0.00 +0.148 HD BRANCH 19 21 ATOM 21 C LIG 1 2.326 0.606 0.444 0.00 0.00 +0.130 A ATOM 22 C LIG 1 2.821 1.924 0.312 0.00 0.00 +0.041 A ATOM 23 C LIG 1 3.927 2.105 -0.542 0.00 0.00 +0.088 A ATOM 24 C LIG 1 4.421 3.417 -0.705 0.00 0.00 +0.063 A ATOM 25 C LIG 1 3.841 4.508 -0.029 0.00 0.00 +0.015 A ATOM 26 C LIG 1 2.767 4.318 0.824 0.00 0.00 +0.002 A ATOM 27 N LIG 1 4.484 1.046 -1.170 0.00 0.00 -0.235 NA ATOM 28 C LIG 1 3.960 -0.163 -0.941 0.00 0.00 +0.223 A ATOM 29 C LIG 1 2.263 3.036 0.994 0.00 0.00 +0.013 A ATOM 30 N LIG 1 2.916 -0.433 -0.161 0.00 0.00 -0.220 NA BRANCH 24 31 ATOM 31 C LIG 1 5.580 3.755 -1.591 0.00 0.00 +0.244 C ATOM 32 O LIG 1 5.974 4.909 -1.722 0.00 0.00 -0.270 OA ATOM 33 N LIG 1 6.203 2.745 -2.262 0.00 0.00 -0.325 N ATOM 34 H LIG 1 6.991 2.962 -2.854 0.00 0.00 +0.145 HD ATOM 35 H LIG 1 5.894 1.783 -2.158 0.00 0.00 +0.145 HD ENDBRANCH 24 31 ENDBRANCH 19 21 ENDBRANCH 1 19 BRANCH 1 36 ATOM 36 C LIG 1 1.654 -2.053 1.931 0.00 0.00 +0.110 C BRANCH 36 38 ATOM 37 C LIG 1 0.166 -3.998 2.091 0.00 0.00 +0.104 C ATOM 38 N LIG 1 1.094 -3.122 2.805 0.00 0.00 -0.306 NA ATOM 39 C LIG 1 2.187 -3.915 3.375 0.00 0.00 +0.104 C ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 8