REMARK Name = BDB032308 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.792 0.675 0.107 0.00 0.00 -0.012 A ATOM 2 C LIG 1 0.152 0.499 -1.112 0.00 0.00 +0.118 A ATOM 3 N LIG 1 -1.192 0.456 -1.268 0.00 0.00 -0.240 NA ATOM 4 C LIG 1 -1.966 0.585 -0.169 0.00 0.00 +0.121 A ATOM 5 C LIG 1 -1.404 0.746 1.096 0.00 0.00 +0.044 A ATOM 6 C LIG 1 -0.017 0.791 1.236 0.00 0.00 +0.010 A ENDROOT BRANCH 4 7 ATOM 7 N LIG 1 -3.362 0.527 -0.320 0.00 0.00 -0.311 N ATOM 8 C LIG 1 -4.348 1.235 0.447 0.00 0.00 +0.136 C ATOM 9 C LIG 1 -5.308 1.015 -0.733 0.00 0.00 +0.081 C ATOM 10 N LIG 1 -6.219 -0.108 -0.528 0.00 0.00 -0.323 N ATOM 11 C LIG 1 -7.509 0.279 -0.443 0.00 0.00 +0.139 A ATOM 12 N LIG 1 -8.304 -0.737 -0.220 0.00 0.00 -0.238 NA ATOM 13 C LIG 1 -7.443 -1.825 -0.183 0.00 0.00 +0.130 A ATOM 14 C LIG 1 -7.641 1.743 -0.577 0.00 0.00 +0.182 C ATOM 15 C LIG 1 -6.124 -1.444 -0.373 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -6.255 2.163 -1.136 0.00 0.00 +0.071 C ATOM 17 C LIG 1 -4.057 0.719 -1.563 0.00 0.00 +0.136 C BRANCH 14 18 ATOM 18 O LIG 1 -7.807 2.276 0.730 0.00 0.00 -0.384 OA ATOM 19 H LIG 1 -8.564 1.795 1.116 0.00 0.00 +0.210 HD ENDBRANCH 14 18 ENDBRANCH 4 7 BRANCH 1 20 ATOM 20 C LIG 1 2.292 0.703 0.194 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 N LIG 1 2.809 -0.651 0.044 0.00 0.00 -0.340 N ATOM 22 H LIG 1 2.226 -1.346 0.506 0.00 0.00 +0.146 HD BRANCH 21 27 ATOM 23 C LIG 1 8.330 -1.869 0.499 0.00 0.00 +0.124 A ATOM 24 C LIG 1 6.945 -1.578 0.396 0.00 0.00 +0.023 A ATOM 25 C LIG 1 6.556 -0.232 0.203 0.00 0.00 +0.007 A ATOM 26 C LIG 1 5.169 0.067 0.098 0.00 0.00 +0.033 A ATOM 27 C LIG 1 4.170 -0.908 0.211 0.00 0.00 +0.028 A ATOM 28 C LIG 1 4.582 -2.231 0.362 0.00 0.00 +0.023 A ATOM 29 C LIG 1 7.571 0.743 0.119 0.00 0.00 +0.067 A ATOM 30 CL LIG 1 7.248 2.425 -0.114 0.00 0.00 -0.081 Cl ATOM 31 C LIG 1 8.894 0.346 0.233 0.00 0.00 +0.133 A ATOM 32 C LIG 1 5.936 -2.563 0.466 0.00 0.00 +0.014 A ATOM 33 N LIG 1 9.287 -0.929 0.421 0.00 0.00 -0.239 NA BRANCH 23 34 ATOM 34 N LIG 1 8.791 -3.180 0.687 0.00 0.00 -0.343 N ATOM 35 H LIG 1 8.402 -3.559 1.544 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 8.492 -3.759 -0.091 0.00 0.00 +0.144 HD ENDBRANCH 23 34 ENDBRANCH 21 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 6