REMARK Name = BDB056860 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.321 -0.610 0.923 0.00 0.00 +0.034 A ATOM 2 C LIG 1 1.667 -0.823 2.133 0.00 0.00 +0.025 A ATOM 3 C LIG 1 0.268 -0.908 2.178 0.00 0.00 +0.025 A ATOM 4 C LIG 1 -0.517 -0.779 1.023 0.00 0.00 +0.034 A ATOM 5 C LIG 1 0.151 -0.563 -0.183 0.00 0.00 +0.025 A ATOM 6 C LIG 1 1.550 -0.477 -0.235 0.00 0.00 +0.025 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 4.674 -0.672 1.773 0.00 0.00 +0.248 C ATOM 8 N LIG 1 3.720 -0.505 0.786 0.00 0.00 -0.282 N ATOM 9 H LIG 1 4.054 -0.353 -0.157 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 4.481 -1.010 2.934 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 8.766 -0.092 0.554 0.00 0.00 +0.033 A ATOM 12 C LIG 1 7.753 0.688 -0.010 0.00 0.00 +0.024 A ATOM 13 C LIG 1 6.418 0.515 0.378 0.00 0.00 +0.015 A ATOM 14 C LIG 1 6.081 -0.453 1.330 0.00 0.00 +0.037 A ATOM 15 C LIG 1 7.093 -1.222 1.913 0.00 0.00 +0.015 A ATOM 16 C LIG 1 8.425 -1.044 1.524 0.00 0.00 +0.024 A BRANCH 11 18 ATOM 17 C LIG 1 10.701 0.865 -0.724 0.00 0.00 +0.217 C ATOM 18 N LIG 1 10.130 0.022 0.217 0.00 0.00 -0.286 N ATOM 19 H LIG 1 10.762 -0.591 0.717 0.00 0.00 +0.155 HD ATOM 20 O LIG 1 10.108 1.658 -1.445 0.00 0.00 -0.275 OA BRANCH 17 22 ATOM 21 C LIG 1 12.870 1.608 -1.792 0.00 0.00 +0.013 C ATOM 22 C LIG 1 12.211 0.693 -0.775 0.00 0.00 +0.093 C ENDBRANCH 17 22 ENDBRANCH 11 18 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 4 23 ATOM 23 N LIG 1 -1.906 -0.878 1.143 0.00 0.00 -0.284 N ATOM 24 H LIG 1 -2.272 -1.024 2.072 0.00 0.00 +0.155 HD BRANCH 23 25 ATOM 25 C LIG 1 -2.965 -0.800 0.244 0.00 0.00 +0.221 A ATOM 26 N LIG 1 -4.180 -0.945 0.788 0.00 0.00 -0.195 NA ATOM 27 C LIG 1 -5.286 -0.870 -0.001 0.00 0.00 +0.163 A ATOM 28 N LIG 1 -6.548 -1.036 0.626 0.00 0.00 -0.326 N ATOM 29 C LIG 1 -7.531 -0.036 0.488 0.00 0.00 +0.056 A ATOM 30 C LIG 1 -8.003 0.337 -0.775 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -7.614 -0.360 -2.022 0.00 0.00 +0.261 A ATOM 32 N LIG 1 -6.286 -0.706 -2.298 0.00 0.00 -0.307 N ATOM 33 C LIG 1 -6.002 -1.116 -3.673 0.00 0.00 +0.152 C ATOM 34 O LIG 1 -8.511 -0.514 -2.858 0.00 0.00 -0.267 OA ATOM 35 C LIG 1 -8.979 1.349 -0.908 0.00 0.00 +0.018 A ATOM 36 C LIG 1 -9.482 2.027 0.204 0.00 0.00 -0.050 A ATOM 37 C LIG 1 -10.539 3.077 0.046 0.00 0.00 +0.044 C ATOM 38 C LIG 1 -9.027 1.655 1.465 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -8.068 0.644 1.602 0.00 0.00 +0.027 A ATOM 40 C LIG 1 -6.449 -1.702 1.929 0.00 0.00 +0.151 C ATOM 41 C LIG 1 -5.189 -0.675 -1.377 0.00 0.00 +0.106 A ATOM 42 C LIG 1 -3.884 -0.551 -1.829 0.00 0.00 +0.144 A ATOM 43 N LIG 1 -2.779 -0.599 -1.058 0.00 0.00 -0.220 NA ENDBRANCH 23 25 ENDBRANCH 4 23 TORSDOF 6