REMARK Name = BDB039082 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.933 1.017 0.046 0.00 0.00 +0.403 C ATOM 2 N LIG 1 4.999 0.035 0.328 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.595 0.430 0.316 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.616 -0.715 0.368 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.042 -2.059 0.485 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.111 -3.108 0.513 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.736 -2.867 0.457 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.327 -1.534 0.365 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.907 -0.927 0.279 0.00 0.00 -0.311 N ATOM 10 C LIG 1 -0.710 0.435 0.226 0.00 0.00 +0.199 A ATOM 11 N LIG 1 0.569 0.726 0.222 0.00 0.00 -0.214 NA ATOM 12 C LIG 1 4.518 -2.371 0.516 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.228 -0.474 0.319 0.00 0.00 +0.096 A ATOM 14 C LIG 1 5.333 -1.192 1.040 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.649 2.141 -0.351 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 N LIG 1 -1.758 1.305 0.156 0.00 0.00 -0.300 N ATOM 17 C LIG 1 -1.580 2.407 -0.824 0.00 0.00 +0.122 C ATOM 18 C LIG 1 -1.547 3.803 -0.185 0.00 0.00 +0.115 C ATOM 19 C LIG 1 -0.768 3.779 1.132 0.00 0.00 +0.018 C ATOM 20 C LIG 1 -1.347 2.763 2.119 0.00 0.00 +0.020 C ATOM 21 C LIG 1 -2.277 1.744 1.460 0.00 0.00 +0.108 C BRANCH 18 22 ATOM 22 C LIG 1 -0.988 4.782 -1.190 0.00 0.00 +0.309 C ATOM 23 O LIG 1 -1.038 4.678 -2.406 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -0.476 5.899 -0.638 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -0.170 6.427 -1.406 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.204 1.584 -0.032 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.212 0.599 0.258 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.190 -1.601 0.215 0.00 0.00 +0.133 C BRANCH 28 29 ATOM 29 C LIG 1 -2.803 -1.633 -1.198 0.00 0.00 +0.036 C ATOM 30 C LIG 1 -1.984 -2.491 -2.172 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -4.249 -2.101 -1.122 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.584 -3.430 -0.817 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.921 -3.825 -0.736 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -6.939 -2.899 -0.955 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.621 -1.576 -1.253 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.286 -1.179 -1.334 0.00 0.00 +0.004 A ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 7