REMARK Name = BDB037589 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.681 -2.269 0.066 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.388 -1.202 0.653 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -1.012 0.128 0.521 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.919 0.900 1.296 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.840 0.087 1.831 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.152 0.556 -0.320 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.186 -0.587 -0.253 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.551 -1.159 1.396 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.529 -1.945 -0.594 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.103 -2.734 -1.356 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.891 2.365 1.526 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -2.997 2.994 2.088 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.265 2.430 2.453 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.244 3.562 2.632 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.504 4.841 2.331 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.475 2.517 1.573 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.005 4.450 2.297 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.909 3.039 1.209 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -2.343 4.815 3.567 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -1.855 5.120 4.577 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.534 -2.175 1.770 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -2.991 -3.217 2.750 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -3.746 -4.534 2.703 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -5.060 -4.348 2.189 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.031 -4.009 0.807 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.360 -2.664 0.573 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.350 -0.406 -1.122 0.00 0.00 -0.299 N ATOM 28 H LIG 1 2.542 -1.172 -1.761 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.347 0.487 -0.811 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.292 1.231 0.161 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 4.540 0.490 -1.704 0.00 0.00 +0.037 A ATOM 32 C LIG 1 5.757 0.940 -1.174 0.00 0.00 +0.017 A ATOM 33 C LIG 1 6.873 0.948 -1.995 0.00 0.00 -0.043 A ATOM 34 C LIG 1 8.274 1.338 -1.640 0.00 0.00 +0.036 C ATOM 35 C LIG 1 8.894 1.521 -3.033 0.00 0.00 +0.009 C ATOM 36 C LIG 1 8.139 0.578 -3.981 0.00 0.00 +0.036 C ATOM 37 C LIG 1 6.795 0.517 -3.323 0.00 0.00 -0.044 A ATOM 38 C LIG 1 5.600 0.074 -3.863 0.00 0.00 +0.004 A ATOM 39 C LIG 1 4.463 0.071 -3.049 0.00 0.00 +0.013 A ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 40 ATOM 40 C LIG 1 -0.264 0.855 -1.757 0.00 0.00 -0.001 C ATOM 41 C LIG 1 0.503 1.861 -2.582 0.00 0.00 +0.004 C ATOM 42 C LIG 1 -0.891 2.179 -2.125 0.00 0.00 +0.004 C ENDBRANCH 6 40 BRANCH 1 44 ATOM 43 C LIG 1 -0.166 -4.609 0.735 0.00 0.00 +0.025 C ATOM 44 C LIG 1 -1.081 -3.665 -0.040 0.00 0.00 +0.112 C ENDBRANCH 1 44 TORSDOF 7