REMARK Name = BDB014120 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.542 -0.645 -0.638 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -0.270 0.389 0.093 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -1.607 0.012 -0.386 0.00 0.00 +0.084 A ATOM 4 C LIG 1 -1.615 -1.146 -1.099 0.00 0.00 +0.084 A ATOM 5 C LIG 1 -2.951 -1.443 -1.296 0.00 0.00 +0.079 A ATOM 6 N LIG 1 -3.746 -0.533 -0.709 0.00 0.00 -0.169 NA ATOM 7 N LIG 1 -2.892 0.414 -0.223 0.00 0.00 -0.216 N ATOM 8 C LIG 1 -0.278 -1.601 -1.308 0.00 0.00 +0.255 C ATOM 9 O LIG 1 0.016 -2.597 -1.944 0.00 0.00 -0.269 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 4.831 -2.706 -2.154 0.00 0.00 +0.046 C ATOM 11 C LIG 1 4.130 -1.619 -1.393 0.00 0.00 -0.019 A ATOM 12 C LIG 1 4.808 -0.600 -0.708 0.00 0.00 +0.116 A ATOM 13 N LIG 1 6.149 -0.352 -0.572 0.00 0.00 -0.129 NA ATOM 14 N LIG 1 6.296 0.733 0.175 0.00 0.00 -0.065 NA ATOM 15 N LIG 1 5.066 1.157 0.515 0.00 0.00 -0.247 N ATOM 16 C LIG 1 4.929 2.320 1.350 0.00 0.00 +0.175 C ATOM 17 C LIG 1 4.085 0.368 -0.025 0.00 0.00 +0.091 A ATOM 18 C LIG 1 2.683 0.394 0.013 0.00 0.00 +0.053 A ATOM 19 C LIG 1 1.975 -0.622 -0.658 0.00 0.00 +0.040 A ATOM 20 C LIG 1 2.714 -1.602 -1.345 0.00 0.00 +0.029 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 -0.165 0.288 1.611 0.00 0.00 -0.021 A ATOM 22 C LIG 1 -0.064 -0.953 2.268 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.010 -1.024 3.662 0.00 0.00 +0.020 A ATOM 24 C LIG 1 -0.026 0.143 4.418 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 0.065 0.058 6.133 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -0.136 1.381 3.791 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -0.206 1.453 2.397 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 7 28 ATOM 28 C LIG 1 -3.453 1.555 0.311 0.00 0.00 +0.153 A ATOM 29 N LIG 1 -2.920 2.814 0.292 0.00 0.00 -0.250 N ATOM 30 C LIG 1 -1.899 3.359 -0.573 0.00 0.00 +0.174 C ATOM 31 N LIG 1 -3.637 3.691 1.028 0.00 0.00 -0.178 NA ATOM 32 C LIG 1 -4.732 3.003 1.364 0.00 0.00 +0.136 A ATOM 33 C LIG 1 -4.691 1.676 0.906 0.00 0.00 +0.069 A ENDBRANCH 7 28 BRANCH 5 34 ATOM 34 C LIG 1 -3.486 -2.698 -2.024 0.00 0.00 +0.040 C ATOM 35 C LIG 1 -3.221 -2.861 -3.499 0.00 0.00 +0.010 C ATOM 36 C LIG 1 -4.608 -2.550 -3.019 0.00 0.00 +0.010 C ENDBRANCH 5 34 TORSDOF 4