REMARK Name = BDB001952 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.583 1.902 -0.373 0.00 0.00 +0.223 A ATOM 2 N LIG 1 0.709 1.773 -0.095 0.00 0.00 -0.181 NA ATOM 3 C LIG 1 1.048 0.782 0.717 0.00 0.00 +0.221 A ATOM 4 N LIG 1 0.195 -0.081 1.238 0.00 0.00 -0.181 NA ATOM 5 C LIG 1 -1.074 0.112 0.915 0.00 0.00 +0.221 A ATOM 6 N LIG 1 -1.504 1.078 0.117 0.00 0.00 -0.181 NA ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -0.993 2.946 -1.205 0.00 0.00 -0.303 N ATOM 8 C LIG 1 -2.325 2.807 -1.767 0.00 0.00 +0.132 C BRANCH 7 9 ATOM 9 C LIG 1 0.033 3.586 -2.025 0.00 0.00 +0.107 C BRANCH 9 10 ATOM 10 C LIG 1 0.724 4.732 -1.276 0.00 0.00 +0.019 C BRANCH 10 12 ATOM 11 C LIG 1 -0.824 6.625 -2.012 0.00 0.00 +0.004 C ATOM 12 C LIG 1 -0.203 5.873 -0.845 0.00 0.00 -0.002 C ENDBRANCH 10 12 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 3 13 ATOM 13 N LIG 1 2.382 0.587 1.067 0.00 0.00 -0.313 N ATOM 14 H LIG 1 2.428 -0.367 1.417 0.00 0.00 +0.149 HD BRANCH 13 15 ATOM 15 C LIG 1 3.334 0.889 0.006 0.00 0.00 +0.109 C BRANCH 15 16 ATOM 16 C LIG 1 4.768 0.576 0.454 0.00 0.00 +0.056 C BRANCH 16 17 ATOM 17 C LIG 1 5.038 -0.892 0.604 0.00 0.00 -0.019 A ATOM 18 C LIG 1 4.916 -1.670 1.799 0.00 0.00 +0.022 A ATOM 19 C LIG 1 5.260 -2.978 1.475 0.00 0.00 +0.138 A ATOM 20 N LIG 1 5.279 -4.050 2.288 0.00 0.00 -0.237 NA ATOM 21 C LIG 1 4.912 -3.751 3.556 0.00 0.00 +0.113 A ATOM 22 C LIG 1 4.544 -2.494 4.019 0.00 0.00 +0.020 A ATOM 23 N LIG 1 5.589 -3.010 0.150 0.00 0.00 -0.346 N ATOM 24 H LIG 1 5.880 -3.848 -0.331 0.00 0.00 +0.167 HD ATOM 25 C LIG 1 4.542 -1.419 3.130 0.00 0.00 +0.013 A ATOM 26 C LIG 1 5.460 -1.757 -0.393 0.00 0.00 +0.088 A ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 13 15 ENDBRANCH 3 13 BRANCH 5 27 ATOM 27 N LIG 1 -2.054 -0.732 1.417 0.00 0.00 -0.313 N ATOM 28 H LIG 1 -2.887 -0.596 0.847 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 -1.655 -2.123 1.570 0.00 0.00 +0.109 C BRANCH 29 30 ATOM 30 C LIG 1 -2.885 -3.028 1.732 0.00 0.00 +0.057 C BRANCH 30 31 ATOM 31 C LIG 1 -3.533 -3.392 0.407 0.00 0.00 -0.004 A ATOM 32 C LIG 1 -4.434 -2.529 -0.246 0.00 0.00 +0.123 A ATOM 33 C LIG 1 -4.992 -2.912 -1.471 0.00 0.00 +0.046 A ATOM 34 C LIG 1 -4.657 -4.138 -2.050 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.763 -4.991 -1.413 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.202 -4.620 -0.192 0.00 0.00 +0.007 A BRANCH 32 37 ATOM 37 O LIG 1 -4.694 -1.342 0.388 0.00 0.00 -0.495 OA ATOM 38 C LIG 1 -5.602 -0.445 -0.238 0.00 0.00 +0.277 C ENDBRANCH 32 37 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 5 27 TORSDOF 13