REMARK Name = BDB057477 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.107 2.333 -1.685 0.00 0.00 +0.121 A ATOM 2 C LIG 1 0.946 1.097 -2.309 0.00 0.00 +0.046 A ATOM 3 C LIG 1 -0.337 0.601 -2.564 0.00 0.00 +0.007 A ATOM 4 C LIG 1 -1.473 1.337 -2.202 0.00 0.00 -0.045 A ATOM 5 C LIG 1 -1.306 2.581 -1.586 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -0.024 3.070 -1.329 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -2.856 0.775 -2.442 0.00 0.00 +0.068 C BRANCH 7 8 ATOM 8 CA LIG 1 -3.265 -0.266 -1.384 0.00 0.00 +0.184 C BRANCH 8 9 ATOM 9 N LIG 1 -4.381 -1.076 -1.934 0.00 0.00 -0.331 N ATOM 10 H LIG 1 -5.176 -0.472 -2.200 0.00 0.00 +0.147 HD BRANCH 9 11 ATOM 11 C LIG 1 -4.870 -2.108 -1.100 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -6.209 -2.131 -0.642 0.00 0.00 +0.043 A ATOM 13 C LIG 1 -6.661 -3.182 0.172 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -5.789 -4.200 0.556 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.468 -4.181 0.119 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.015 -3.148 -0.705 0.00 0.00 +0.023 A BRANCH 12 17 ATOM 17 C LIG 1 -7.160 -1.050 -1.037 0.00 0.00 +0.195 C ATOM 18 O LIG 1 -7.081 -0.543 -2.155 0.00 0.00 -0.287 OA BRANCH 17 19 ATOM 19 C LIG 1 -8.206 -0.567 -0.104 0.00 0.00 +0.022 A ATOM 20 C LIG 1 -7.926 -0.355 1.251 0.00 0.00 +0.012 A ATOM 21 C LIG 1 -8.931 0.107 2.102 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -10.207 0.368 1.601 0.00 0.00 +0.000 A ATOM 23 C LIG 1 -10.480 0.178 0.245 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -9.478 -0.282 -0.610 0.00 0.00 +0.012 A ENDBRANCH 17 19 ENDBRANCH 12 17 ENDBRANCH 9 11 ENDBRANCH 8 9 BRANCH 8 25 ATOM 25 C LIG 1 -3.654 0.458 -0.077 0.00 0.00 +0.326 C ATOM 26 O LIG 1 -4.790 0.794 0.232 0.00 0.00 -0.249 OA BRANCH 25 27 ATOM 27 OXT LIG 1 -2.602 0.717 0.742 0.00 0.00 -0.479 OA ATOM 28 HXT LIG 1 -1.729 0.471 0.376 0.00 0.00 +0.295 HD ENDBRANCH 25 27 ENDBRANCH 8 25 ENDBRANCH 7 8 ENDBRANCH 4 7 BRANCH 1 29 ATOM 29 O LIG 1 2.296 2.930 -1.373 0.00 0.00 -0.492 OA BRANCH 29 30 ATOM 30 C LIG 1 3.495 2.222 -1.705 0.00 0.00 +0.235 C BRANCH 30 31 ATOM 31 C LIG 1 4.697 3.041 -1.236 0.00 0.00 +0.097 C BRANCH 31 34 ATOM 32 C LIG 1 3.321 4.783 1.155 0.00 0.00 +0.053 C ATOM 33 C LIG 1 4.320 3.685 1.242 0.00 0.00 +0.011 A ATOM 34 C LIG 1 4.912 2.933 0.242 0.00 0.00 +0.057 A ATOM 35 N LIG 1 5.797 1.966 0.691 0.00 0.00 -0.230 NA ATOM 36 C LIG 1 5.890 1.986 1.999 0.00 0.00 +0.159 A ATOM 37 S LIG 1 4.890 3.155 2.769 0.00 0.00 -0.057 S BRANCH 36 38 ATOM 38 N LIG 1 6.674 1.176 2.743 0.00 0.00 -0.323 N ATOM 39 H LIG 1 6.485 1.126 3.736 0.00 0.00 +0.148 HD BRANCH 38 40 ATOM 40 C LIG 1 7.287 0.001 2.144 0.00 0.00 +0.104 C BRANCH 40 41 ATOM 41 C LIG 1 6.275 -1.140 2.028 0.00 0.00 +0.034 C BRANCH 41 42 ATOM 42 C LIG 1 6.921 -2.464 1.600 0.00 0.00 +0.085 C BRANCH 42 43 ATOM 43 N LIG 1 7.682 -2.404 0.343 0.00 0.00 -0.308 NA ATOM 44 C LIG 1 6.825 -2.111 -0.808 0.00 0.00 +0.104 C ATOM 45 C LIG 1 8.396 -3.664 0.122 0.00 0.00 +0.104 C ENDBRANCH 42 43 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 36 38 ENDBRANCH 31 34 ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 1 29 TORSDOF 17