REMARK Name = BDB058138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.608 -1.482 0.247 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -0.272 -0.190 -0.163 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.074 0.198 -0.238 0.00 0.00 +0.024 A ATOM 4 C LIG 1 2.108 -0.689 0.080 0.00 0.00 +0.034 A ATOM 5 C LIG 1 1.751 -1.989 0.475 0.00 0.00 +0.024 A ATOM 6 C LIG 1 0.411 -2.386 0.552 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 -2.962 -0.991 0.656 0.00 0.00 -0.308 N ATOM 8 H LIG 1 -2.674 -0.034 0.803 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 -2.019 -1.948 0.342 0.00 0.00 +0.244 C ATOM 10 O LIG 1 -2.286 -3.131 0.167 0.00 0.00 -0.270 OA BRANCH 7 18 ATOM 11 C LIG 1 -6.884 -1.033 -2.295 0.00 0.00 +0.030 C ATOM 12 C LIG 1 -6.455 -1.044 -0.811 0.00 0.00 +0.043 C ATOM 13 N LIG 1 -6.724 0.319 -0.285 0.00 0.00 -0.180 NA ATOM 14 C LIG 1 -5.899 0.800 0.849 0.00 0.00 +0.043 C ATOM 15 C LIG 1 -6.717 1.601 1.893 0.00 0.00 +0.030 C ATOM 16 C LIG 1 -4.883 1.802 0.249 0.00 0.00 +0.030 C ATOM 17 C LIG 1 -5.154 -0.328 1.593 0.00 0.00 +0.046 C ATOM 18 C LIG 1 -4.391 -1.296 0.679 0.00 0.00 +0.077 C ATOM 19 C LIG 1 -4.948 -1.349 -0.749 0.00 0.00 +0.046 C ATOM 20 C LIG 1 -7.250 -2.174 -0.111 0.00 0.00 +0.030 C BRANCH 13 21 ATOM 21 O LIG 1 -8.136 0.385 0.043 0.00 0.00 -0.311 OA ATOM 22 H LIG 1 -8.454 1.044 -0.603 0.00 0.00 +0.237 HD ENDBRANCH 13 21 ENDBRANCH 7 18 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 N LIG 1 3.465 -0.357 0.032 0.00 0.00 -0.284 N ATOM 24 H LIG 1 4.121 -1.091 0.259 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 4.171 0.790 -0.313 0.00 0.00 +0.221 A ATOM 26 N LIG 1 5.509 0.676 -0.232 0.00 0.00 -0.197 NA ATOM 27 C LIG 1 6.297 1.727 -0.558 0.00 0.00 +0.159 A ATOM 28 C LIG 1 5.715 2.913 -0.964 0.00 0.00 +0.184 A ATOM 29 C LIG 1 4.343 2.968 -1.012 0.00 0.00 +0.150 A ATOM 30 N LIG 1 3.560 1.920 -0.693 0.00 0.00 -0.220 NA BRANCH 28 31 ATOM 31 N LIG 1 6.481 4.067 -1.351 0.00 0.00 +0.061 N ATOM 32 O LIG 1 7.566 3.874 -1.918 0.00 0.00 -0.126 OA ATOM 33 O LIG 1 5.989 5.180 -1.119 0.00 0.00 -0.126 OA ENDBRANCH 28 31 BRANCH 27 34 ATOM 34 N LIG 1 7.698 1.604 -0.414 0.00 0.00 -0.296 N ATOM 35 H LIG 1 8.197 2.035 -1.200 0.00 0.00 +0.154 HD BRANCH 34 36 ATOM 36 C LIG 1 8.454 0.540 0.136 0.00 0.00 +0.051 A ATOM 37 C LIG 1 9.753 0.269 -0.342 0.00 0.00 +0.062 A ATOM 38 CL LIG 1 10.419 1.192 -1.646 0.00 0.00 -0.082 Cl ATOM 39 C LIG 1 10.533 -0.753 0.207 0.00 0.00 +0.022 A ATOM 40 C LIG 1 10.034 -1.518 1.258 0.00 0.00 +0.002 A ATOM 41 C LIG 1 8.762 -1.254 1.760 0.00 0.00 +0.002 A ATOM 42 C LIG 1 7.983 -0.231 1.208 0.00 0.00 +0.025 A ENDBRANCH 34 36 ENDBRANCH 27 34 ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 8