REMARK Name = BDB051381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.477 -1.768 0.496 0.00 0.00 +0.115 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -0.923 -1.874 0.044 0.00 0.00 -0.305 N ATOM 3 H LIG 1 -1.218 -2.733 -0.399 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 -1.797 -0.814 0.129 0.00 0.00 +0.245 C ATOM 5 O LIG 1 -1.473 0.277 0.588 0.00 0.00 -0.270 OA BRANCH 4 6 ATOM 6 C LIG 1 -3.174 -1.034 -0.381 0.00 0.00 +0.040 A ATOM 7 C LIG 1 -4.228 -0.367 0.256 0.00 0.00 +0.062 A ATOM 8 C LIG 1 -5.541 -0.533 -0.191 0.00 0.00 +0.163 A ATOM 9 C LIG 1 -5.801 -1.375 -1.293 0.00 0.00 +0.162 A ATOM 10 C LIG 1 -4.740 -2.024 -1.936 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -3.429 -1.852 -1.485 0.00 0.00 +0.017 A BRANCH 9 12 ATOM 12 O LIG 1 -7.117 -1.481 -1.670 0.00 0.00 -0.491 OA ATOM 13 C LIG 1 -7.425 -2.331 -2.766 0.00 0.00 +0.277 C ENDBRANCH 9 12 BRANCH 8 14 ATOM 14 O LIG 1 -6.639 0.067 0.371 0.00 0.00 -0.488 OA BRANCH 14 15 ATOM 15 C LIG 1 -6.471 1.067 1.373 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -6.111 2.424 0.776 0.00 0.00 +0.069 C BRANCH 16 17 ATOM 17 C LIG 1 -7.138 2.884 -0.257 0.00 0.00 +0.163 C BRANCH 17 18 ATOM 18 O LIG 1 -6.865 4.219 -0.689 0.00 0.00 -0.383 OA ATOM 19 C LIG 1 -5.867 4.283 -1.699 0.00 0.00 +0.193 C ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 6 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 0.993 -3.191 0.859 0.00 0.00 +0.106 C BRANCH 20 21 ATOM 21 N LIG 1 2.341 -3.246 1.428 0.00 0.00 -0.312 NA ATOM 22 H LIG 1 3.020 -2.982 0.712 0.00 0.00 +0.122 HD BRANCH 21 23 ATOM 23 C LIG 1 2.701 -4.581 1.931 0.00 0.00 +0.048 C ATOM 24 C LIG 1 4.224 -4.650 2.083 0.00 0.00 +0.023 C ATOM 25 C LIG 1 2.042 -4.869 3.281 0.00 0.00 +0.023 C ENDBRANCH 21 23 ENDBRANCH 20 21 ENDBRANCH 1 20 BRANCH 1 26 ATOM 26 C LIG 1 1.379 -1.040 -0.554 0.00 0.00 +0.137 C BRANCH 26 27 ATOM 27 O LIG 1 0.621 -0.111 -1.343 0.00 0.00 -0.390 OA ATOM 28 H LIG 1 0.063 0.398 -0.717 0.00 0.00 +0.210 HD ENDBRANCH 26 27 BRANCH 26 29 ATOM 29 C LIG 1 2.519 -0.239 0.100 0.00 0.00 +0.045 C BRANCH 29 30 ATOM 30 C LIG 1 3.659 0.104 -0.878 0.00 0.00 +0.074 C ATOM 31 C LIG 1 3.296 1.163 -1.917 0.00 0.00 +0.017 C BRANCH 30 34 ATOM 32 N LIG 1 4.765 1.692 0.626 0.00 0.00 -0.315 N ATOM 33 H LIG 1 3.922 2.241 0.527 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 4.899 0.529 -0.099 0.00 0.00 +0.216 C ATOM 35 O LIG 1 5.928 -0.141 -0.117 0.00 0.00 -0.276 OA BRANCH 32 36 ATOM 36 C LIG 1 5.871 2.266 1.364 0.00 0.00 +0.104 C BRANCH 36 37 ATOM 37 C LIG 1 6.812 3.077 0.474 0.00 0.00 +0.018 C BRANCH 37 39 ATOM 38 C LIG 1 7.109 5.128 -0.961 0.00 0.00 +0.004 C ATOM 39 C LIG 1 6.135 4.312 -0.124 0.00 0.00 -0.002 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 30 34 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 TORSDOF 19