REMARK Name = BDB010636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.088 -1.299 -0.302 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.112 -1.116 0.363 0.00 0.00 -0.308 N ATOM 3 C LIG 1 1.051 -1.914 -0.252 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.381 -2.409 -1.363 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.939 -3.185 -2.306 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.233 -3.434 -2.066 0.00 0.00 +0.202 A ATOM 7 N LIG 1 2.969 -3.029 -1.015 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 2.382 -2.269 -0.061 0.00 0.00 +0.101 A ATOM 9 N LIG 1 -0.925 -2.030 -1.379 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 -4.220 -2.228 -1.985 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -4.448 -0.960 -1.159 0.00 0.00 +0.140 C ATOM 12 C LIG 1 -3.119 -0.165 -0.926 0.00 0.00 +0.135 C ATOM 13 N LIG 1 -2.254 -0.752 0.149 0.00 0.00 -0.289 N ATOM 14 C LIG 1 -2.988 -1.647 1.081 0.00 0.00 +0.136 C ATOM 15 C LIG 1 -4.454 -1.244 1.234 0.00 0.00 +0.179 C ATOM 16 O LIG 1 -5.188 -1.340 0.015 0.00 0.00 -0.373 OA BRANCH 12 17 ATOM 17 C LIG 1 -3.377 1.329 -0.675 0.00 0.00 -0.025 A ATOM 18 C LIG 1 -3.193 1.948 0.571 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -3.439 3.313 0.742 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.870 4.086 -0.332 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -4.052 3.496 -1.579 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -3.807 2.132 -1.749 0.00 0.00 +0.005 A ENDBRANCH 12 17 ENDBRANCH 1 13 BRANCH 6 23 ATOM 23 C LIG 1 2.914 -4.262 -3.087 0.00 0.00 +0.220 A ATOM 24 N LIG 1 2.214 -4.708 -4.144 0.00 0.00 -0.269 N ATOM 25 H LIG 1 1.240 -4.546 -4.342 0.00 0.00 +0.174 HD ATOM 26 C LIG 1 3.060 -5.418 -4.900 0.00 0.00 +0.440 A ATOM 27 O LIG 1 2.786 -5.980 -5.948 0.00 0.00 -0.221 OA ATOM 28 O LIG 1 4.294 -5.407 -4.298 0.00 0.00 -0.295 OA ATOM 29 N LIG 1 4.154 -4.631 -3.102 0.00 0.00 -0.051 NA ENDBRANCH 6 23 BRANCH 8 30 ATOM 30 C LIG 1 3.209 -1.936 1.092 0.00 0.00 +0.004 A ATOM 31 C LIG 1 2.888 -2.407 2.376 0.00 0.00 +0.030 A ATOM 32 C LIG 1 3.693 -2.087 3.469 0.00 0.00 +0.042 A ATOM 33 CL LIG 1 3.261 -2.650 5.037 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 4.838 -1.312 3.304 0.00 0.00 +0.020 A ATOM 35 C LIG 1 5.187 -0.862 2.033 0.00 0.00 +0.002 A ATOM 36 C LIG 1 4.381 -1.178 0.936 0.00 0.00 +0.010 A ENDBRANCH 8 30 BRANCH 2 37 ATOM 37 C LIG 1 0.316 -0.152 1.430 0.00 0.00 +0.128 C BRANCH 37 38 ATOM 38 C LIG 1 0.477 1.300 0.936 0.00 0.00 +0.009 C ATOM 39 C LIG 1 1.800 1.522 0.189 0.00 0.00 +0.005 C ATOM 40 C LIG 1 1.966 2.977 -0.249 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.856 3.941 0.938 0.00 0.00 -0.014 C ATOM 42 C LIG 1 1.973 5.390 0.468 0.00 0.00 +0.007 C ATOM 43 C LIG 1 0.541 3.722 1.694 0.00 0.00 +0.003 C ATOM 44 C LIG 1 0.375 2.267 2.127 0.00 0.00 +0.005 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 6