REMARK Name = BDB008279 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.581 0.865 -0.566 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -0.273 1.188 -0.574 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 0.641 0.223 -0.766 0.00 0.00 +0.128 A ATOM 4 C LIG 1 0.277 -1.102 -0.951 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -1.079 -1.437 -0.922 0.00 0.00 +0.005 A ATOM 6 C LIG 1 -2.028 -0.431 -0.738 0.00 0.00 +0.054 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -1.497 -2.830 -1.131 0.00 0.00 +0.056 A ATOM 8 N LIG 1 -1.598 -3.798 -0.103 0.00 0.00 -0.296 N ATOM 9 C LIG 1 -1.962 -5.124 -0.363 0.00 0.00 +0.138 A ATOM 10 N LIG 1 -1.962 -5.860 0.724 0.00 0.00 -0.233 NA ATOM 11 C LIG 1 -1.618 -5.015 1.743 0.00 0.00 +0.060 A ATOM 12 C LIG 1 -1.540 -5.523 3.133 0.00 0.00 +0.067 C ATOM 13 C LIG 1 -2.264 -5.485 -1.705 0.00 0.00 +0.047 A ATOM 14 C LIG 1 -2.183 -4.566 -2.682 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -1.393 -3.731 1.272 0.00 0.00 +0.044 A ATOM 16 C LIG 1 -1.026 -2.509 2.030 0.00 0.00 +0.066 C ATOM 17 C LIG 1 -1.783 -3.200 -2.398 0.00 0.00 +0.027 A ENDBRANCH 5 7 BRANCH 1 19 ATOM 18 C LIG 1 -3.782 2.019 -0.313 0.00 0.00 +0.235 C ATOM 19 N LIG 1 -2.405 1.969 -0.361 0.00 0.00 -0.269 N ATOM 20 H LIG 1 -1.873 2.826 -0.268 0.00 0.00 +0.156 HD ATOM 21 O LIG 1 -4.534 1.062 -0.471 0.00 0.00 -0.274 OA BRANCH 18 22 ATOM 22 C LIG 1 -4.300 3.447 -0.017 0.00 0.00 +0.137 C ATOM 23 C LIG 1 -5.807 3.564 -0.244 0.00 0.00 +0.034 C BRANCH 22 25 ATOM 24 C LIG 1 -4.497 3.153 2.424 0.00 0.00 +0.101 C ATOM 25 N LIG 1 -3.879 3.898 1.332 0.00 0.00 -0.309 NA ATOM 26 H LIG 1 -2.866 3.821 1.420 0.00 0.00 +0.122 HD ENDBRANCH 22 25 ENDBRANCH 18 22 ENDBRANCH 1 19 BRANCH 3 27 ATOM 27 N LIG 1 2.007 0.528 -0.785 0.00 0.00 -0.265 N ATOM 28 H LIG 1 2.642 -0.238 -0.937 0.00 0.00 +0.157 HD ATOM 29 C LIG 1 2.548 1.784 -0.611 0.00 0.00 +0.266 C ATOM 30 O LIG 1 1.919 2.817 -0.410 0.00 0.00 -0.268 OA BRANCH 29 31 ATOM 31 C LIG 1 4.000 1.820 -0.679 0.00 0.00 +0.103 A ATOM 32 N LIG 1 4.681 3.010 -0.523 0.00 0.00 -0.351 N ATOM 33 H LIG 1 4.220 3.896 -0.357 0.00 0.00 +0.166 HD ATOM 34 C LIG 1 6.038 2.826 -0.621 0.00 0.00 +0.047 A ATOM 35 C LIG 1 6.247 1.469 -0.850 0.00 0.00 +0.000 A ATOM 36 C LIG 1 7.567 1.000 -0.992 0.00 0.00 +0.010 A ATOM 37 C LIG 1 8.628 1.908 -0.900 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.388 3.261 -0.671 0.00 0.00 +0.002 A ATOM 39 C LIG 1 7.086 3.748 -0.527 0.00 0.00 +0.026 A ATOM 40 C LIG 1 4.966 0.847 -0.884 0.00 0.00 +0.040 A ENDBRANCH 29 31 ENDBRANCH 3 27 TORSDOF 6