REMARK Name = BDB002390 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.448 1.588 -0.452 0.00 0.00 +0.159 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.679 -0.499 -0.858 0.00 0.00 +0.234 C ATOM 3 N LIG 1 -0.665 0.365 -1.217 0.00 0.00 -0.302 N ATOM 4 H LIG 1 -0.448 0.426 -2.206 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -2.296 -0.395 0.204 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 -2.015 -1.582 -1.908 0.00 0.00 +0.161 C BRANCH 6 8 ATOM 7 C LIG 1 -2.158 -3.732 -0.705 0.00 0.00 +0.230 C ATOM 8 N LIG 1 -2.790 -2.624 -1.233 0.00 0.00 -0.302 N ATOM 9 H LIG 1 -3.587 -2.273 -0.716 0.00 0.00 +0.150 HD ATOM 10 O LIG 1 -0.995 -4.020 -0.991 0.00 0.00 -0.274 OA BRANCH 7 11 ATOM 11 C LIG 1 -3.046 -4.649 0.185 0.00 0.00 +0.137 C ATOM 12 C LIG 1 -3.902 -3.892 1.200 0.00 0.00 +0.034 C BRANCH 11 14 ATOM 13 C LIG 1 -1.397 -5.229 1.929 0.00 0.00 +0.101 C ATOM 14 N LIG 1 -2.215 -5.707 0.818 0.00 0.00 -0.309 NA ATOM 15 H LIG 1 -1.574 -6.040 0.090 0.00 0.00 +0.122 HD ENDBRANCH 11 14 ENDBRANCH 7 11 ENDBRANCH 6 8 BRANCH 6 16 ATOM 16 C LIG 1 -2.766 -0.982 -3.119 0.00 0.00 +0.012 C ATOM 17 C LIG 1 -4.122 -0.370 -2.754 0.00 0.00 +0.009 C ATOM 18 C LIG 1 -2.947 -2.031 -4.221 0.00 0.00 +0.009 C ENDBRANCH 6 16 ENDBRANCH 2 6 ENDBRANCH 1 3 BRANCH 1 19 ATOM 19 C LIG 1 -1.321 2.699 -1.085 0.00 0.00 +0.238 C ATOM 20 N LIG 1 -1.596 3.731 -0.200 0.00 0.00 -0.283 N ATOM 21 H LIG 1 -1.311 3.573 0.754 0.00 0.00 +0.155 HD ATOM 22 O LIG 1 -1.656 2.632 -2.266 0.00 0.00 -0.273 OA BRANCH 20 23 ATOM 23 C LIG 1 -2.301 4.940 -0.446 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -2.545 5.846 0.640 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -3.241 7.056 0.369 0.00 0.00 -0.016 A ATOM 26 C LIG 1 -3.505 7.976 1.397 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -3.096 7.732 2.705 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -2.416 6.561 3.001 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -3.674 7.344 -0.930 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -3.430 6.459 -1.973 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -2.146 5.635 1.988 0.00 0.00 +0.010 A ATOM 32 C LIG 1 -2.749 5.269 -1.732 0.00 0.00 +0.024 A ENDBRANCH 20 23 ENDBRANCH 1 19 BRANCH 1 33 ATOM 33 C LIG 1 1.024 2.016 -0.482 0.00 0.00 +0.033 C BRANCH 33 34 ATOM 34 C LIG 1 1.942 0.981 0.174 0.00 0.00 +0.021 C BRANCH 34 35 ATOM 35 C LIG 1 3.393 1.457 0.199 0.00 0.00 +0.107 C BRANCH 35 36 ATOM 36 N LIG 1 4.265 0.451 0.755 0.00 0.00 -0.281 N ATOM 37 H LIG 1 4.370 0.355 1.756 0.00 0.00 +0.152 HD ATOM 38 C LIG 1 4.769 -0.572 0.011 0.00 0.00 +0.401 C ATOM 39 O LIG 1 4.646 -0.698 -1.198 0.00 0.00 -0.226 OA BRANCH 38 40 ATOM 40 O LIG 1 5.417 -1.431 0.828 0.00 0.00 -0.446 OA BRANCH 40 41 ATOM 41 C LIG 1 5.965 -2.564 0.147 0.00 0.00 +0.269 C BRANCH 41 42 ATOM 42 C LIG 1 6.625 -3.456 1.169 0.00 0.00 -0.010 A ATOM 43 C LIG 1 7.749 -3.008 1.879 0.00 0.00 +0.007 A ATOM 44 C LIG 1 8.365 -3.831 2.823 0.00 0.00 +0.000 A ATOM 45 C LIG 1 7.865 -5.109 3.067 0.00 0.00 +0.000 A ATOM 46 C LIG 1 6.748 -5.565 2.368 0.00 0.00 +0.000 A ATOM 47 C LIG 1 6.129 -4.743 1.424 0.00 0.00 +0.007 A ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 38 40 ENDBRANCH 35 36 ENDBRANCH 34 35 ENDBRANCH 33 34 ENDBRANCH 1 33 TORSDOF 15