REMARK Name = BDB056017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.140 1.604 0.822 0.00 0.00 +0.121 A ATOM 2 N LIG 1 1.796 2.894 1.113 0.00 0.00 -0.263 N ATOM 3 H LIG 1 2.402 3.648 1.408 0.00 0.00 +0.190 HD ATOM 4 N LIG 1 0.488 3.158 0.986 0.00 0.00 -0.172 NA ATOM 5 C LIG 1 -0.054 1.994 0.582 0.00 0.00 +0.094 A ATOM 6 C LIG 1 0.956 0.996 0.477 0.00 0.00 +0.073 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.492 1.864 0.315 0.00 0.00 +0.002 A ATOM 8 C LIG 1 -2.017 0.715 -0.293 0.00 0.00 +0.010 A ATOM 9 C LIG 1 -3.389 0.601 -0.546 0.00 0.00 +0.006 A ATOM 10 C LIG 1 -4.267 1.636 -0.201 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -3.750 2.781 0.417 0.00 0.00 +0.006 A ATOM 12 C LIG 1 -2.378 2.893 0.665 0.00 0.00 +0.010 A BRANCH 10 13 ATOM 13 C LIG 1 -5.742 1.498 -0.456 0.00 0.00 +0.141 C BRANCH 13 14 ATOM 14 N LIG 1 -6.374 0.687 0.559 0.00 0.00 -0.295 N ATOM 15 H LIG 1 -5.803 0.357 1.328 0.00 0.00 +0.151 HD ATOM 16 C LIG 1 -7.659 0.238 0.612 0.00 0.00 +0.305 C ATOM 17 N LIG 1 -8.479 0.651 -0.393 0.00 0.00 -0.252 N ATOM 18 H LIG 1 -8.161 1.310 -1.080 0.00 0.00 +0.158 HD ATOM 19 O LIG 1 -7.978 -0.500 1.540 0.00 0.00 -0.252 OA BRANCH 17 20 ATOM 20 C LIG 1 -9.794 0.277 -0.555 0.00 0.00 +0.169 A ATOM 21 N LIG 1 -10.501 0.782 -1.571 0.00 0.00 -0.063 NA ATOM 22 O LIG 1 -11.759 0.224 -1.476 0.00 0.00 -0.357 OA ATOM 23 C LIG 1 -11.806 -0.627 -0.413 0.00 0.00 +0.144 A ATOM 24 C LIG 1 -10.579 -0.612 0.209 0.00 0.00 +0.092 A BRANCH 23 25 ATOM 25 C LIG 1 -13.114 -1.327 -0.163 0.00 0.00 +0.023 C ATOM 26 C LIG 1 -12.929 -2.499 0.818 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -13.680 -1.887 -1.481 0.00 0.00 +0.019 C ATOM 28 C LIG 1 -14.116 -0.330 0.439 0.00 0.00 +0.019 C ENDBRANCH 23 25 ENDBRANCH 17 20 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 5 7 BRANCH 1 30 ATOM 29 C LIG 1 3.808 -0.141 0.568 0.00 0.00 +0.249 C ATOM 30 N LIG 1 3.444 1.153 0.909 0.00 0.00 -0.267 N ATOM 31 H LIG 1 4.168 1.809 1.170 0.00 0.00 +0.157 HD ATOM 32 O LIG 1 3.072 -1.009 0.110 0.00 0.00 -0.270 OA BRANCH 29 36 ATOM 33 C LIG 1 7.972 -1.112 1.046 0.00 0.00 -0.033 A ATOM 34 C LIG 1 7.217 -1.650 -0.007 0.00 0.00 +0.005 A ATOM 35 C LIG 1 5.866 -1.328 -0.151 0.00 0.00 +0.013 A ATOM 36 C LIG 1 5.252 -0.458 0.755 0.00 0.00 +0.037 A ATOM 37 C LIG 1 5.991 0.067 1.824 0.00 0.00 +0.013 A ATOM 38 C LIG 1 7.344 -0.258 1.964 0.00 0.00 +0.005 A BRANCH 33 39 ATOM 39 C LIG 1 9.430 -1.489 1.216 0.00 0.00 +0.119 C BRANCH 39 44 ATOM 40 C LIG 1 13.507 0.134 -2.433 0.00 0.00 +0.105 C ATOM 41 N LIG 1 12.672 -0.110 -1.259 0.00 0.00 -0.303 NA ATOM 42 C LIG 1 12.506 -1.557 -1.029 0.00 0.00 +0.099 C ATOM 43 C LIG 1 11.578 -1.849 0.171 0.00 0.00 +0.100 C ATOM 44 N LIG 1 10.244 -1.230 0.020 0.00 0.00 -0.296 NA ATOM 45 C LIG 1 10.412 0.219 -0.225 0.00 0.00 +0.100 C ATOM 46 C LIG 1 11.342 0.508 -1.426 0.00 0.00 +0.099 C ENDBRANCH 39 44 ENDBRANCH 33 39 ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 9