REMARK Name = BDB022874 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.746 1.190 -1.079 0.00 0.00 +0.216 A ATOM 2 N LIG 1 2.765 1.386 -0.190 0.00 0.00 -0.218 NA ATOM 3 C LIG 1 1.640 0.647 -0.316 0.00 0.00 +0.067 A ATOM 4 C LIG 1 0.557 0.874 0.714 0.00 0.00 +0.163 C ATOM 5 N LIG 1 -0.693 0.129 0.493 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -0.566 -1.191 -0.151 0.00 0.00 +0.078 C ATOM 7 C LIG 1 0.230 -1.088 -1.464 0.00 0.00 +0.060 C ATOM 8 C LIG 1 0.029 -2.226 0.812 0.00 0.00 +0.028 C ATOM 9 C LIG 1 -1.760 0.497 1.315 0.00 0.00 +0.220 C ATOM 10 O LIG 1 -1.645 1.426 2.118 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 1.487 -0.297 -1.313 0.00 0.00 -0.005 A ATOM 12 C LIG 1 2.543 -0.408 -2.188 0.00 0.00 +0.120 A ATOM 13 N LIG 1 3.673 0.313 -2.089 0.00 0.00 -0.223 NA ENDROOT BRANCH 9 14 ATOM 14 C LIG 1 -3.099 -0.237 1.147 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -3.769 0.214 -0.175 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -4.574 1.526 -0.007 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -5.472 1.528 1.158 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -6.225 2.782 1.218 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -4.710 1.330 2.395 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.996 -0.020 2.379 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -4.565 -0.910 -0.837 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -5.777 -1.382 -0.315 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -6.471 -2.421 -0.940 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -5.965 -3.005 -2.098 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -4.767 -2.545 -2.636 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -4.073 -1.506 -2.012 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 9 14 BRANCH 1 27 ATOM 27 N LIG 1 4.870 1.981 -0.905 0.00 0.00 -0.307 N ATOM 28 H LIG 1 4.791 2.358 0.033 0.00 0.00 +0.149 HD BRANCH 27 30 ATOM 29 C LIG 1 7.187 2.447 -1.438 0.00 0.00 +0.033 C ATOM 30 C LIG 1 6.147 1.346 -1.196 0.00 0.00 +0.100 C BRANCH 30 31 ATOM 31 C LIG 1 6.556 0.414 -0.063 0.00 0.00 -0.027 A ATOM 32 C LIG 1 6.507 -0.976 -0.261 0.00 0.00 +0.005 A ATOM 33 C LIG 1 6.862 -1.857 0.762 0.00 0.00 +0.000 A ATOM 34 C LIG 1 7.264 -1.363 2.000 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.306 0.013 2.218 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.951 0.896 1.196 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 27 30 ENDBRANCH 1 27 TORSDOF 5