REMARK Name = BDB038646 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.835 0.500 -0.730 0.00 0.00 -0.015 A ATOM 2 C LIG 1 -2.507 0.047 -0.827 0.00 0.00 +0.032 A ATOM 3 C LIG 1 -1.411 0.915 -0.731 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.679 2.282 -0.587 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -2.989 2.791 -0.505 0.00 0.00 -0.042 A ATOM 6 C LIG 1 -4.050 1.878 -0.583 0.00 0.00 +0.012 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.085 0.403 -0.756 0.00 0.00 -0.263 N ATOM 8 C LIG 1 1.101 1.145 -0.691 0.00 0.00 +0.251 C ATOM 9 O LIG 1 1.288 2.347 -0.641 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.210 0.182 -0.691 0.00 0.00 +0.042 A ATOM 11 C LIG 1 1.680 -1.100 -0.748 0.00 0.00 -0.018 A ATOM 12 C LIG 1 2.513 -2.204 -0.750 0.00 0.00 +0.006 A ATOM 13 C LIG 1 3.896 -1.989 -0.698 0.00 0.00 +0.005 A ATOM 14 C LIG 1 4.436 -0.682 -0.650 0.00 0.00 -0.033 A ATOM 15 C LIG 1 3.571 0.423 -0.638 0.00 0.00 +0.018 A ATOM 16 C LIG 1 0.192 -1.031 -0.790 0.00 0.00 +0.149 C BRANCH 14 17 ATOM 17 C LIG 1 5.931 -0.474 -0.574 0.00 0.00 +0.116 C BRANCH 17 18 ATOM 18 N LIG 1 6.334 -0.191 0.798 0.00 0.00 -0.312 NA ATOM 19 H LIG 1 6.074 -0.969 1.401 0.00 0.00 +0.122 HD BRANCH 18 20 ATOM 20 C LIG 1 7.755 0.099 0.932 0.00 0.00 +0.084 C BRANCH 20 21 ATOM 21 C LIG 1 8.590 -1.135 0.774 0.00 0.00 +0.003 C ATOM 22 C LIG 1 9.214 -1.496 -0.552 0.00 0.00 +0.005 C ATOM 23 C LIG 1 10.079 -1.002 0.572 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 25 ATOM 24 C LIG 1 -5.058 -1.577 0.095 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -4.971 -0.449 -0.761 0.00 0.00 -0.007 A ATOM 26 C LIG 1 -6.009 -0.244 -1.692 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -7.091 -1.124 -1.786 0.00 0.00 +0.019 A ATOM 28 C LIG 1 -7.158 -2.240 -0.953 0.00 0.00 +0.052 A ATOM 29 C LIG 1 -6.143 -2.466 -0.021 0.00 0.00 +0.031 A BRANCH 24 32 ATOM 30 C LIG 1 -4.332 0.043 2.694 0.00 0.00 +0.152 C ATOM 31 N LIG 1 -3.714 -1.159 2.204 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -4.035 -1.895 1.091 0.00 0.00 +0.164 A ATOM 33 N LIG 1 -3.241 -2.951 1.055 0.00 0.00 -0.129 NA ATOM 34 N LIG 1 -2.376 -2.884 2.120 0.00 0.00 -0.138 NA ATOM 35 C LIG 1 -2.672 -1.803 2.801 0.00 0.00 +0.225 A ENDBRANCH 24 32 BRANCH 28 36 ATOM 36 C LIG 1 -8.262 -3.149 -1.053 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -9.163 -3.876 -1.131 0.00 0.00 -0.191 NA ENDBRANCH 28 36 ENDBRANCH 1 25 BRANCH 5 38 ATOM 38 C LIG 1 -3.241 4.273 -0.359 0.00 0.00 +0.019 C ATOM 39 C LIG 1 -4.095 4.791 0.776 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -2.618 5.035 0.788 0.00 0.00 +0.009 C ENDBRANCH 5 38 TORSDOF 9