REMARK Name = BDB055505 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 CA LIG 1 -1.070 -1.012 -0.137 0.00 0.00 +0.184 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 -2.547 -0.890 -0.195 0.00 0.00 -0.331 N ATOM 3 H LIG 1 -2.926 -0.782 0.760 0.00 0.00 +0.147 HD BRANCH 2 5 ATOM 4 C LIG 1 -4.384 0.647 -0.727 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.144 0.049 -1.056 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -2.620 0.323 -2.328 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -3.248 1.218 -3.202 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -4.432 1.846 -2.832 0.00 0.00 +0.001 A ATOM 9 C LIG 1 -5.004 1.562 -1.595 0.00 0.00 +0.013 A BRANCH 4 11 ATOM 10 O LIG 1 -4.319 0.337 1.596 0.00 0.00 -0.287 OA ATOM 11 C LIG 1 -5.021 0.365 0.586 0.00 0.00 +0.195 C BRANCH 11 12 ATOM 12 C LIG 1 -6.480 0.107 0.698 0.00 0.00 +0.022 A ATOM 13 C LIG 1 -7.130 0.456 1.887 0.00 0.00 +0.012 A ATOM 14 C LIG 1 -8.499 0.223 2.031 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -9.218 -0.369 0.993 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -8.569 -0.737 -0.186 0.00 0.00 +0.001 A ATOM 17 C LIG 1 -7.200 -0.505 -0.335 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 -0.723 -2.249 0.702 0.00 0.00 +0.326 C ATOM 19 O LIG 1 -0.889 -2.389 1.905 0.00 0.00 -0.249 OA BRANCH 18 20 ATOM 20 OXT LIG 1 -0.211 -3.263 -0.030 0.00 0.00 -0.479 OA ATOM 21 HXT LIG 1 -0.087 -3.981 0.625 0.00 0.00 +0.295 HD ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 1 22 ATOM 22 C LIG 1 -0.438 0.231 0.518 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 C LIG 1 1.071 0.244 0.423 0.00 0.00 -0.045 A ATOM 24 C LIG 1 1.857 -0.157 1.510 0.00 0.00 +0.007 A ATOM 25 C LIG 1 3.253 -0.164 1.417 0.00 0.00 +0.046 A ATOM 26 C LIG 1 3.880 0.229 0.235 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.097 0.628 -0.850 0.00 0.00 +0.046 A ATOM 28 C LIG 1 1.704 0.637 -0.761 0.00 0.00 +0.007 A BRANCH 26 29 ATOM 29 O LIG 1 5.228 0.268 0.010 0.00 0.00 -0.487 OA BRANCH 29 30 ATOM 30 C LIG 1 6.078 -0.106 1.091 0.00 0.00 +0.264 C BRANCH 30 31 ATOM 31 C LIG 1 7.508 0.024 0.629 0.00 0.00 -0.010 A ATOM 32 C LIG 1 8.161 -1.056 0.019 0.00 0.00 +0.007 A ATOM 33 C LIG 1 9.480 -0.931 -0.419 0.00 0.00 +0.000 A ATOM 34 C LIG 1 10.157 0.278 -0.260 0.00 0.00 +0.000 A ATOM 35 C LIG 1 9.513 1.363 0.331 0.00 0.00 +0.000 A ATOM 36 C LIG 1 8.194 1.240 0.770 0.00 0.00 +0.007 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11