REMARK Name = BDB057500 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.997 0.040 1.349 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -3.276 -0.207 0.638 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -3.404 -1.221 0.496 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -5.707 -0.209 0.464 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -4.513 0.347 0.991 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -4.646 1.524 1.738 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -5.901 2.082 2.017 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -7.061 1.487 1.535 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -6.967 0.339 0.756 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -4.943 -2.375 -0.019 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -5.646 -1.432 -0.380 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -6.412 -1.529 -1.650 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -6.820 -2.794 -2.089 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -7.536 -2.925 -3.280 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.837 -1.795 -4.040 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -7.416 -0.534 -3.616 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -6.700 -0.399 -2.425 0.00 0.00 +0.012 A ENDBRANCH 11 12 ENDBRANCH 4 11 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -2.117 -0.143 2.865 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -1.963 0.704 3.731 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -2.445 -1.410 3.209 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -2.545 -1.380 4.183 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -1.368 1.384 0.943 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 0.145 1.354 0.994 0.00 0.00 -0.045 A ATOM 24 C LIG 1 0.831 1.756 2.144 0.00 0.00 +0.007 A ATOM 25 C LIG 1 2.226 1.702 2.186 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.960 1.249 1.087 0.00 0.00 +0.121 A ATOM 27 C LIG 1 2.280 0.842 -0.059 0.00 0.00 +0.046 A ATOM 28 C LIG 1 0.882 0.894 -0.106 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 4.313 1.246 1.275 0.00 0.00 -0.489 OA BRANCH 29 30 ATOM 30 C LIG 1 5.157 0.880 0.182 0.00 0.00 +0.270 C BRANCH 30 31 ATOM 31 C LIG 1 5.393 -0.630 0.144 0.00 0.00 +0.271 C BRANCH 31 32 ATOM 32 O LIG 1 6.106 -1.022 -1.032 0.00 0.00 -0.473 OA BRANCH 32 33 ATOM 33 C LIG 1 7.478 -0.940 -0.931 0.00 0.00 +0.215 A ATOM 34 N LIG 1 8.045 -0.397 0.168 0.00 0.00 -0.219 NA ATOM 35 C LIG 1 9.401 -0.336 0.195 0.00 0.00 +0.147 A ATOM 36 C LIG 1 10.201 -0.793 -0.841 0.00 0.00 +0.144 A ATOM 37 C LIG 1 9.595 -1.345 -1.971 0.00 0.00 +0.039 A ATOM 38 C LIG 1 8.203 -1.417 -2.014 0.00 0.00 +0.069 A BRANCH 36 39 ATOM 39 N LIG 1 11.650 -0.692 -0.739 0.00 0.00 +0.058 N ATOM 40 O LIG 1 12.121 -0.192 0.291 0.00 0.00 -0.126 OA ATOM 41 O LIG 1 12.323 -1.113 -1.689 0.00 0.00 -0.126 OA ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 14