REMARK Name = BDB014123 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.635 0.915 0.162 0.00 0.00 -0.237 N ATOM 2 C LIG 1 -0.190 -0.338 0.067 0.00 0.00 +0.163 C ATOM 3 C LIG 1 -1.539 0.241 0.165 0.00 0.00 +0.084 A ATOM 4 C LIG 1 -1.527 1.603 0.156 0.00 0.00 +0.084 A ATOM 5 C LIG 1 -2.851 1.983 0.087 0.00 0.00 +0.079 A ATOM 6 N LIG 1 -3.659 0.916 0.007 0.00 0.00 -0.169 NA ATOM 7 N LIG 1 -2.833 -0.171 0.112 0.00 0.00 -0.216 N ATOM 8 C LIG 1 -0.185 2.085 0.169 0.00 0.00 +0.256 C ATOM 9 O LIG 1 0.132 3.260 0.178 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 4.965 3.291 0.538 0.00 0.00 +0.048 C ATOM 11 C LIG 1 4.137 2.033 0.569 0.00 0.00 -0.001 A ATOM 12 C LIG 1 4.700 0.753 0.815 0.00 0.00 +0.181 A ATOM 13 N LIG 1 3.863 -0.340 0.798 0.00 0.00 -0.195 N ATOM 14 C LIG 1 4.675 -1.421 1.044 0.00 0.00 +0.152 A ATOM 15 N LIG 1 5.916 -1.008 1.210 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 4.181 -2.811 1.098 0.00 0.00 +0.090 C ATOM 17 N LIG 1 2.514 -0.355 0.592 0.00 0.00 -0.148 NA ATOM 18 C LIG 1 2.009 0.823 0.376 0.00 0.00 +0.150 A ATOM 19 N LIG 1 5.931 0.361 1.066 0.00 0.00 -0.128 NA ATOM 20 C LIG 1 2.809 2.086 0.348 0.00 0.00 +0.053 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.055 -1.081 -1.241 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -0.308 -0.539 -2.489 0.00 0.00 +0.007 A ATOM 23 C LIG 1 -0.065 -1.241 -3.673 0.00 0.00 +0.020 A ATOM 24 C LIG 1 0.551 -2.488 -3.627 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 0.853 -3.349 -5.085 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 0.932 -3.037 -2.406 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.688 -2.336 -1.222 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 7 28 ATOM 28 C LIG 1 -3.446 -1.411 0.109 0.00 0.00 +0.153 A ATOM 29 N LIG 1 -2.965 -2.586 0.619 0.00 0.00 -0.250 N ATOM 30 C LIG 1 -1.903 -2.808 1.571 0.00 0.00 +0.174 C ATOM 31 N LIG 1 -3.765 -3.639 0.343 0.00 0.00 -0.178 NA ATOM 32 C LIG 1 -4.833 -3.091 -0.238 0.00 0.00 +0.136 A ATOM 33 C LIG 1 -4.706 -1.701 -0.377 0.00 0.00 +0.069 A ENDBRANCH 7 28 BRANCH 5 34 ATOM 34 C LIG 1 -3.360 3.442 0.024 0.00 0.00 +0.040 C ATOM 35 C LIG 1 -3.154 4.345 1.214 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -4.531 3.851 0.881 0.00 0.00 +0.010 C ENDBRANCH 5 34 TORSDOF 4