REMARK Name = BDB045350 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.275 2.391 -1.945 0.00 0.00 +0.093 A ATOM 2 C LIG 1 -1.536 1.715 -1.978 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.465 2.709 -2.262 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -3.841 2.470 -2.369 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -4.317 1.160 -2.180 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -3.381 0.143 -1.932 0.00 0.00 +0.005 A ATOM 7 N LIG 1 -1.734 3.855 -2.403 0.00 0.00 -0.276 N ATOM 8 H LIG 1 -2.078 4.782 -2.625 0.00 0.00 +0.189 HD ATOM 9 C LIG 1 -2.005 0.397 -1.826 0.00 0.00 +0.012 A ATOM 10 N LIG 1 -0.414 3.693 -2.232 0.00 0.00 -0.173 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.790 0.839 -2.286 0.00 0.00 +0.040 C ATOM 12 C LIG 1 -6.591 0.315 -1.110 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -6.061 0.055 0.272 0.00 0.00 -0.010 A ATOM 14 C LIG 1 -6.690 -1.100 0.768 0.00 0.00 +0.040 A ATOM 15 C LIG 1 -6.424 -1.614 2.025 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -5.494 -0.939 2.818 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.861 0.222 2.346 0.00 0.00 +0.000 A ATOM 18 N LIG 1 -7.593 -1.586 -0.199 0.00 0.00 -0.273 N ATOM 19 C LIG 1 -8.426 -2.743 -0.013 0.00 0.00 +0.138 C ATOM 20 C LIG 1 -5.146 0.726 1.073 0.00 0.00 +0.006 A ATOM 21 C LIG 1 -7.603 -0.787 -1.336 0.00 0.00 +0.231 C ATOM 22 O LIG 1 -8.275 -0.906 -2.348 0.00 0.00 -0.274 OA ATOM 23 C LIG 1 -6.830 1.711 -1.612 0.00 0.00 +0.031 C ENDBRANCH 5 11 BRANCH 1 25 ATOM 24 C LIG 1 1.290 0.797 -0.869 0.00 0.00 +0.011 C ATOM 25 C LIG 1 1.018 1.832 -1.681 0.00 0.00 +0.031 C BRANCH 24 29 ATOM 26 C LIG 1 5.199 -0.696 -0.070 0.00 0.00 +0.121 A ATOM 27 N LIG 1 5.021 0.629 -0.256 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 3.769 1.084 -0.513 0.00 0.00 +0.120 A ATOM 29 C LIG 1 2.641 0.280 -0.620 0.00 0.00 -0.007 A ATOM 30 C LIG 1 2.833 -1.084 -0.420 0.00 0.00 +0.013 A ATOM 31 C LIG 1 4.115 -1.572 -0.153 0.00 0.00 +0.044 A BRANCH 26 36 ATOM 32 C LIG 1 9.947 -0.601 2.457 0.00 0.00 +0.105 C ATOM 33 N LIG 1 8.491 -0.577 2.358 0.00 0.00 -0.302 NA ATOM 34 C LIG 1 7.966 -1.933 2.079 0.00 0.00 +0.103 C ATOM 35 C LIG 1 6.535 -1.925 1.494 0.00 0.00 +0.122 C ATOM 36 N LIG 1 6.483 -1.207 0.197 0.00 0.00 -0.313 N ATOM 37 C LIG 1 7.584 -0.237 0.002 0.00 0.00 +0.122 C ATOM 38 C LIG 1 8.024 0.398 1.339 0.00 0.00 +0.103 C ENDBRANCH 26 36 ENDBRANCH 24 29 ENDBRANCH 1 25 TORSDOF 4