REMARK Name = BDB020553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.000 -4.725 1.360 0.00 0.00 +0.132 C ATOM 2 N LIG 1 -3.017 -3.354 0.881 0.00 0.00 -0.297 N ATOM 3 C LIG 1 -4.046 -2.975 0.025 0.00 0.00 +0.235 C ATOM 4 O LIG 1 -4.903 -3.769 -0.371 0.00 0.00 -0.274 OA ATOM 5 C LIG 1 -4.095 -1.532 -0.443 0.00 0.00 +0.219 C ATOM 6 N LIG 1 -2.928 -0.765 -0.069 0.00 0.00 -0.320 N ATOM 7 C LIG 1 -2.084 -1.143 0.939 0.00 0.00 +0.064 A ATOM 8 C LIG 1 -1.131 -0.149 0.989 0.00 0.00 +0.094 A ATOM 9 N LIG 1 -1.384 0.804 0.036 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -2.479 0.421 -0.594 0.00 0.00 +0.114 A ATOM 11 C LIG 1 -2.317 -2.378 1.705 0.00 0.00 +0.163 C ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -0.001 -0.083 1.897 0.00 0.00 +0.011 A ATOM 13 C LIG 1 1.333 0.005 1.414 0.00 0.00 +0.009 A ATOM 14 C LIG 1 2.397 0.057 2.341 0.00 0.00 -0.014 A ATOM 15 C LIG 1 3.719 0.132 1.877 0.00 0.00 +0.037 A ATOM 16 C LIG 1 3.967 0.151 0.509 0.00 0.00 +0.075 A ATOM 17 N LIG 1 2.974 0.101 -0.406 0.00 0.00 -0.254 NA ATOM 18 C LIG 1 2.120 0.033 3.718 0.00 0.00 +0.008 A ATOM 19 C LIG 1 0.809 -0.040 4.184 0.00 0.00 +0.001 A ATOM 20 C LIG 1 1.702 0.036 0.060 0.00 0.00 +0.120 A ATOM 21 C LIG 1 -0.247 -0.096 3.279 0.00 0.00 +0.011 A BRANCH 16 22 ATOM 22 C LIG 1 5.321 0.224 -0.015 0.00 0.00 +0.038 A ATOM 23 C LIG 1 5.641 0.271 -1.359 0.00 0.00 +0.118 A ATOM 24 N LIG 1 6.999 0.334 -1.434 0.00 0.00 -0.274 N ATOM 25 C LIG 1 7.799 0.403 -2.632 0.00 0.00 +0.172 C ATOM 26 N LIG 1 7.603 0.329 -0.231 0.00 0.00 -0.179 NA ATOM 27 C LIG 1 6.580 0.264 0.627 0.00 0.00 +0.144 A ENDBRANCH 16 22 ENDBRANCH 8 12 BRANCH 10 28 ATOM 28 C LIG 1 -3.159 1.181 -1.700 0.00 0.00 +0.059 C ATOM 29 C LIG 1 -4.207 2.139 -1.110 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -4.427 3.324 -2.036 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -3.247 4.098 -2.245 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -2.015 3.382 -2.114 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -2.140 1.937 -2.571 0.00 0.00 +0.039 C ENDBRANCH 10 28 TORSDOF 3