REMARK Name = BDB057563 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.056 1.611 0.500 0.00 0.00 +0.121 A ATOM 2 C LIG 1 -1.102 2.377 0.356 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -2.245 2.091 1.105 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -2.251 1.024 2.010 0.00 0.00 -0.045 A ATOM 5 C LIG 1 -1.086 0.258 2.153 0.00 0.00 +0.007 A ATOM 6 C LIG 1 0.059 0.549 1.403 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 1.102 2.000 -0.291 0.00 0.00 -0.492 OA BRANCH 7 8 ATOM 8 C LIG 1 2.313 1.249 -0.181 0.00 0.00 +0.235 C BRANCH 8 9 ATOM 9 C LIG 1 3.329 1.845 -1.151 0.00 0.00 +0.100 C BRANCH 9 12 ATOM 10 C LIG 1 6.297 3.105 -0.194 0.00 0.00 +0.088 C ATOM 11 C LIG 1 5.864 1.765 -0.627 0.00 0.00 +0.126 A ATOM 12 C LIG 1 4.665 1.213 -1.025 0.00 0.00 +0.086 A ATOM 13 N LIG 1 4.851 -0.118 -1.322 0.00 0.00 -0.214 NA ATOM 14 C LIG 1 6.136 -0.328 -1.104 0.00 0.00 +0.228 A ATOM 15 O LIG 1 6.814 0.784 -0.673 0.00 0.00 -0.440 OA BRANCH 14 16 ATOM 16 C LIG 1 6.910 -1.558 -1.252 0.00 0.00 +0.037 A ATOM 17 C LIG 1 6.272 -2.727 -1.695 0.00 0.00 +0.013 A ATOM 18 C LIG 1 6.986 -3.919 -1.846 0.00 0.00 +0.001 A ATOM 19 C LIG 1 8.348 -3.957 -1.557 0.00 0.00 +0.000 A ATOM 20 C LIG 1 8.997 -2.805 -1.117 0.00 0.00 +0.001 A ATOM 21 C LIG 1 8.282 -1.613 -0.966 0.00 0.00 +0.013 A ENDBRANCH 14 16 ENDBRANCH 9 12 ENDBRANCH 8 9 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 4 22 ATOM 22 C LIG 1 -3.490 0.698 2.815 0.00 0.00 +0.068 C BRANCH 22 23 ATOM 23 CA LIG 1 -4.560 -0.146 2.094 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 -3.976 -1.475 1.590 0.00 0.00 +0.326 C ATOM 25 O LIG 1 -3.949 -1.896 0.444 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 -3.488 -2.247 2.589 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 -3.178 -3.048 2.115 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 -5.185 0.648 0.999 0.00 0.00 -0.331 N ATOM 29 H LIG 1 -4.502 0.748 0.231 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 -6.402 0.152 0.472 0.00 0.00 +0.042 A ATOM 31 C LIG 1 -6.597 -0.056 -0.916 0.00 0.00 +0.080 A ATOM 32 C LIG 1 -7.832 -0.534 -1.391 0.00 0.00 +0.017 A ATOM 33 C LIG 1 -8.882 -0.786 -0.511 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.713 -0.553 0.849 0.00 0.00 +0.002 A ATOM 35 C LIG 1 -7.490 -0.081 1.331 0.00 0.00 +0.024 A BRANCH 31 36 ATOM 36 C LIG 1 -5.497 0.222 -1.881 0.00 0.00 +0.339 C ATOM 37 O LIG 1 -4.432 0.755 -1.622 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.772 -0.180 -3.137 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -4.952 0.040 -3.627 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 22 23 ENDBRANCH 4 22 TORSDOF 13