REMARK Name = BDB063814 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.096 0.527 -0.022 0.00 0.00 +0.032 A ATOM 2 C LIG 1 1.954 -0.281 0.128 0.00 0.00 +0.051 A ATOM 3 C LIG 1 0.653 0.158 -0.118 0.00 0.00 +0.078 A ATOM 4 C LIG 1 0.457 1.475 -0.531 0.00 0.00 +0.040 A ATOM 5 C LIG 1 -0.879 1.854 -0.749 0.00 0.00 +0.130 A ATOM 6 N LIG 1 -1.892 0.983 -0.610 0.00 0.00 -0.216 NA ATOM 7 C LIG 1 -1.603 -0.267 -0.206 0.00 0.00 +0.142 A ATOM 8 C LIG 1 1.581 2.311 -0.704 0.00 0.00 +0.015 A ATOM 9 N LIG 1 -0.357 -0.702 0.049 0.00 0.00 -0.231 NA ATOM 10 C LIG 1 2.871 1.838 -0.452 0.00 0.00 +0.024 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 7.798 -2.212 0.591 0.00 0.00 +0.105 C ATOM 12 N LIG 1 7.139 -0.935 0.847 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 5.987 -1.083 1.760 0.00 0.00 +0.103 C ATOM 14 C LIG 1 4.594 -1.133 1.087 0.00 0.00 +0.120 C ATOM 15 N LIG 1 4.369 0.047 0.234 0.00 0.00 -0.327 N ATOM 16 C LIG 1 5.575 0.715 -0.285 0.00 0.00 +0.120 C ATOM 17 C LIG 1 6.739 -0.293 -0.424 0.00 0.00 +0.103 C ENDBRANCH 1 15 BRANCH 7 18 ATOM 18 C LIG 1 -2.788 -1.250 -0.046 0.00 0.00 +0.055 C ATOM 19 C LIG 1 -3.364 -1.417 -1.493 0.00 0.00 +0.019 C ATOM 20 C LIG 1 -4.017 -2.778 -1.722 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -3.002 -3.913 -1.589 0.00 0.00 +0.000 C ATOM 22 C LIG 1 -1.871 -3.596 -0.611 0.00 0.00 +0.001 C ATOM 23 C LIG 1 -2.335 -2.650 0.495 0.00 0.00 +0.019 C BRANCH 18 24 ATOM 24 C LIG 1 -3.791 -0.690 1.001 0.00 0.00 -0.034 A ATOM 25 C LIG 1 -3.322 -0.343 2.288 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.183 0.157 3.268 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -5.534 0.314 2.982 0.00 0.00 +0.041 A ATOM 28 CL LIG 1 -6.601 0.927 4.184 0.00 0.00 -0.084 Cl ATOM 29 C LIG 1 -6.027 -0.028 1.727 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -5.163 -0.527 0.745 0.00 0.00 +0.006 A ENDBRANCH 18 24 ENDBRANCH 7 18 BRANCH 5 31 ATOM 31 N LIG 1 -1.169 3.178 -1.156 0.00 0.00 -0.327 N ATOM 32 H LIG 1 -0.747 3.809 -0.475 0.00 0.00 +0.148 HD BRANCH 31 33 ATOM 33 C LIG 1 -2.604 3.483 -1.236 0.00 0.00 +0.118 C BRANCH 33 34 ATOM 34 C LIG 1 -2.804 4.920 -1.759 0.00 0.00 +0.096 C BRANCH 34 35 ATOM 35 N LIG 1 -1.938 5.903 -1.089 0.00 0.00 -0.329 NA ATOM 36 H LIG 1 -2.165 6.831 -1.447 0.00 0.00 +0.118 HD ATOM 37 H LIG 1 -0.981 5.724 -1.395 0.00 0.00 +0.118 HD ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 5 31 TORSDOF 7