REMARK Name = BDB006384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.847 -1.720 -3.419 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.452 -1.450 -2.008 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.131 -0.597 -1.084 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.423 -0.624 0.120 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.830 0.129 1.236 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.984 0.912 1.127 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.719 0.942 -0.059 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.659 -1.468 -0.066 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.291 0.203 -1.171 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.647 -1.981 -1.350 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.688 -2.921 -1.859 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.952 1.765 -0.198 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.690 1.952 0.953 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.494 1.368 1.753 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.281 2.206 -1.293 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.973 2.616 0.921 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 7.098 1.612 0.858 0.00 0.00 -0.030 A ATOM 18 C LIG 1 7.777 1.222 2.023 0.00 0.00 +0.007 A ATOM 19 C LIG 1 8.804 0.277 1.962 0.00 0.00 +0.033 A ATOM 20 C LIG 1 9.151 -0.289 0.728 0.00 0.00 +0.126 A ATOM 21 C LIG 1 8.479 0.085 -0.441 0.00 0.00 +0.033 A ATOM 22 C LIG 1 7.454 1.031 -0.370 0.00 0.00 +0.007 A BRANCH 20 23 ATOM 23 N LIG 1 10.229 -1.283 0.662 0.00 0.00 +0.056 N ATOM 24 O LIG 1 10.784 -1.602 1.724 0.00 0.00 -0.126 OA ATOM 25 O LIG 1 10.523 -1.746 -0.449 0.00 0.00 -0.126 OA ENDBRANCH 20 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 26 ATOM 26 C LIG 1 -1.638 -1.807 0.969 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 -2.970 -1.120 0.780 0.00 0.00 -0.028 A ATOM 28 C LIG 1 -4.155 -1.862 0.879 0.00 0.00 +0.006 A ATOM 29 C LIG 1 -5.400 -1.243 0.732 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.495 0.136 0.488 0.00 0.00 -0.017 A ATOM 31 C LIG 1 -4.309 0.878 0.409 0.00 0.00 +0.009 A ATOM 32 C LIG 1 -3.063 0.261 0.557 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 -6.806 0.785 0.334 0.00 0.00 -0.004 A ATOM 34 C LIG 1 -7.666 0.539 -0.755 0.00 0.00 +0.067 A ATOM 35 C LIG 1 -8.942 1.120 -0.816 0.00 0.00 +0.015 A ATOM 36 C LIG 1 -9.365 1.983 0.193 0.00 0.00 +0.001 A ATOM 37 C LIG 1 -8.521 2.261 1.264 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -7.257 1.666 1.336 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 -7.290 -0.343 -1.876 0.00 0.00 +0.337 C ATOM 40 O LIG 1 -7.950 -1.270 -2.305 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 -6.145 0.056 -2.454 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 -5.997 -0.581 -3.183 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 8 26 TORSDOF 9