REMARK Name = BDB054306 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.631 -0.048 -0.039 0.00 0.00 +0.054 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.675 -0.452 -0.250 0.00 0.00 +0.035 A ATOM 3 C LIG 1 3.097 0.710 0.261 0.00 0.00 +0.023 A ATOM 4 C LIG 1 1.705 0.845 0.324 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.869 -0.184 -0.123 0.00 0.00 -0.046 A ATOM 6 C LIG 1 1.447 -1.354 -0.624 0.00 0.00 +0.005 A ATOM 7 C LIG 1 2.838 -1.486 -0.686 0.00 0.00 +0.023 A BRANCH 2 10 ATOM 8 O LIG 1 5.913 1.446 0.101 0.00 0.00 -0.252 OA ATOM 9 C LIG 1 6.082 0.253 -0.115 0.00 0.00 +0.308 C ATOM 10 N LIG 1 5.067 -0.668 -0.336 0.00 0.00 -0.269 N ATOM 11 H LIG 1 5.350 -1.544 -0.747 0.00 0.00 +0.156 HD ATOM 12 N LIG 1 7.316 -0.380 -0.174 0.00 0.00 -0.269 N ATOM 13 H LIG 1 7.298 -1.385 -0.102 0.00 0.00 +0.156 HD BRANCH 12 14 ATOM 14 C LIG 1 8.593 0.217 -0.115 0.00 0.00 +0.035 A ATOM 15 C LIG 1 9.697 -0.641 -0.017 0.00 0.00 +0.023 A ATOM 16 C LIG 1 10.997 -0.128 0.036 0.00 0.00 +0.002 A ATOM 17 C LIG 1 11.205 1.247 -0.013 0.00 0.00 +0.000 A ATOM 18 C LIG 1 10.114 2.107 -0.117 0.00 0.00 +0.002 A ATOM 19 C LIG 1 8.814 1.594 -0.171 0.00 0.00 +0.023 A ENDBRANCH 12 14 ENDBRANCH 2 10 ENDBRANCH 1 5 BRANCH 1 20 ATOM 20 C LIG 1 -1.190 -0.680 1.241 0.00 0.00 +0.107 C BRANCH 20 21 ATOM 21 N LIG 1 -2.631 -0.487 1.354 0.00 0.00 -0.328 N ATOM 22 H LIG 1 -2.939 0.469 1.499 0.00 0.00 +0.147 HD BRANCH 21 23 ATOM 23 C LIG 1 -3.468 -1.245 0.545 0.00 0.00 +0.134 A ATOM 24 C LIG 1 -4.793 -0.871 0.274 0.00 0.00 +0.098 A ATOM 25 C LIG 1 -5.527 -1.729 -0.529 0.00 0.00 +0.234 A ATOM 26 O LIG 1 -6.787 -1.248 -0.702 0.00 0.00 -0.435 OA ATOM 27 C LIG 1 -6.882 -0.068 -0.017 0.00 0.00 +0.157 A ATOM 28 N LIG 1 -5.115 -2.876 -1.082 0.00 0.00 -0.200 NA ATOM 29 C LIG 1 -3.844 -3.137 -0.765 0.00 0.00 +0.227 A ATOM 30 C LIG 1 -5.673 0.197 0.602 0.00 0.00 +0.099 A ATOM 31 CL LIG 1 -5.263 1.518 1.596 0.00 0.00 -0.079 Cl ATOM 32 N LIG 1 -3.016 -2.399 -0.004 0.00 0.00 -0.220 NA BRANCH 27 33 ATOM 33 C LIG 1 -8.181 0.594 -0.109 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -8.296 1.990 -0.058 0.00 0.00 +0.011 A ATOM 35 C LIG 1 -9.546 2.610 -0.143 0.00 0.00 +0.001 A ATOM 36 C LIG 1 -10.700 1.843 -0.286 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -10.604 0.456 -0.346 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.354 -0.163 -0.260 0.00 0.00 +0.011 A ENDBRANCH 27 33 ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7