REMARK Name = BDB045354 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.463 -2.911 -0.245 0.00 0.00 -0.041 A ATOM 2 C LIG 1 3.861 -3.437 0.914 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.570 -3.013 1.252 0.00 0.00 +0.067 A ATOM 4 C LIG 1 1.843 -2.106 0.492 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.602 -1.954 1.185 0.00 0.00 +0.093 A ATOM 6 N LIG 1 0.566 -2.715 2.290 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 2.431 -1.591 -0.677 0.00 0.00 +0.012 A ATOM 8 N LIG 1 1.754 -3.337 2.299 0.00 0.00 -0.276 N ATOM 9 H LIG 1 1.951 -3.978 3.058 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 3.724 -2.007 -1.028 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 6.453 1.229 0.630 0.00 0.00 +0.120 A ATOM 12 C LIG 1 6.289 -0.163 0.580 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.952 -0.895 -0.394 0.00 0.00 -0.007 A ATOM 14 C LIG 1 7.010 -2.359 -0.729 0.00 0.00 +0.081 C ATOM 15 C LIG 1 5.852 -3.334 -0.666 0.00 0.00 +0.040 C ATOM 16 C LIG 1 7.981 -2.431 -1.885 0.00 0.00 +0.228 C ATOM 17 N LIG 1 8.378 -1.135 -2.165 0.00 0.00 -0.284 N ATOM 18 H LIG 1 9.034 -0.913 -2.897 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 8.332 -3.453 -2.450 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 6.983 -3.413 0.341 0.00 0.00 +0.031 C ATOM 21 C LIG 1 7.787 -0.218 -1.295 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.974 1.148 -1.275 0.00 0.00 +0.027 A ATOM 23 C LIG 1 7.292 1.877 -0.296 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 5.830 3.259 1.707 0.00 0.00 +0.277 C ATOM 25 O LIG 1 5.747 1.842 1.630 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -0.472 -1.103 0.758 0.00 0.00 +0.031 C ATOM 27 C LIG 1 -1.640 -0.959 1.408 0.00 0.00 +0.010 C BRANCH 27 28 ATOM 28 C LIG 1 -2.727 -0.075 0.968 0.00 0.00 -0.025 A ATOM 29 C LIG 1 -3.458 0.629 1.931 0.00 0.00 +0.008 A ATOM 30 C LIG 1 -4.517 1.463 1.557 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -4.874 1.597 0.210 0.00 0.00 -0.033 A ATOM 32 C LIG 1 -4.151 0.880 -0.754 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -3.093 0.047 -0.378 0.00 0.00 +0.008 A BRANCH 31 34 ATOM 34 C LIG 1 -6.014 2.506 -0.202 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -7.093 1.811 -0.925 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 -8.045 2.761 -1.521 0.00 0.00 +0.085 C ATOM 37 C LIG 1 -9.338 2.918 -0.725 0.00 0.00 +0.015 C ATOM 38 C LIG 1 -10.073 1.586 -0.590 0.00 0.00 +0.002 C ATOM 39 C LIG 1 -9.118 0.394 -0.606 0.00 0.00 +0.015 C ATOM 40 C LIG 1 -7.735 0.784 -0.086 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 5 26 TORSDOF 6