REMARK Name = BDB006348 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.738 0.506 -0.032 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.790 -0.847 0.339 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.770 -1.381 1.153 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -0.531 -2.671 1.698 0.00 0.00 +0.027 A ATOM 5 C LIG 1 0.632 -2.609 2.428 0.00 0.00 +0.087 A ATOM 6 N LIG 1 1.126 -1.331 2.332 0.00 0.00 -0.342 N ATOM 7 C LIG 1 0.279 -0.553 1.563 0.00 0.00 +0.049 A ATOM 8 C LIG 1 0.351 0.796 1.185 0.00 0.00 +0.027 A ATOM 9 C LIG 1 -0.670 1.308 0.378 0.00 0.00 +0.015 A ENDROOT BRANCH 1 12 ATOM 10 N LIG 1 -4.053 0.569 -0.796 0.00 0.00 -0.305 N ATOM 11 H LIG 1 -4.250 -0.069 -0.037 0.00 0.00 +0.150 HD ATOM 12 C LIG 1 -2.792 1.122 -0.887 0.00 0.00 +0.245 C ATOM 13 O LIG 1 -2.530 2.088 -1.593 0.00 0.00 -0.270 OA BRANCH 10 15 ATOM 14 C LIG 1 -5.123 0.792 -3.010 0.00 0.00 +0.033 C ATOM 15 C LIG 1 -5.182 1.132 -1.517 0.00 0.00 +0.100 C BRANCH 15 16 ATOM 16 C LIG 1 -6.480 0.665 -0.876 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -6.903 -0.673 -0.961 0.00 0.00 +0.007 A ATOM 18 C LIG 1 -8.090 -1.089 -0.351 0.00 0.00 +0.033 A ATOM 19 C LIG 1 -8.862 -0.163 0.360 0.00 0.00 +0.126 A ATOM 20 C LIG 1 -8.452 1.171 0.465 0.00 0.00 +0.033 A ATOM 21 C LIG 1 -7.264 1.577 -0.149 0.00 0.00 +0.007 A BRANCH 19 22 ATOM 22 N LIG 1 -10.108 -0.595 1.004 0.00 0.00 +0.056 N ATOM 23 O LIG 1 -10.770 0.259 1.611 0.00 0.00 -0.126 OA ATOM 24 O LIG 1 -10.424 -1.790 0.905 0.00 0.00 -0.126 OA ENDBRANCH 19 22 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 1 12 BRANCH 6 25 ATOM 25 C LIG 1 2.339 -0.868 3.002 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 C LIG 1 3.490 -0.655 2.049 0.00 0.00 -0.028 A ATOM 27 C LIG 1 3.937 -1.680 1.204 0.00 0.00 +0.006 A ATOM 28 C LIG 1 5.018 -1.473 0.340 0.00 0.00 +0.009 A ATOM 29 C LIG 1 5.688 -0.241 0.299 0.00 0.00 -0.018 A ATOM 30 C LIG 1 5.244 0.776 1.157 0.00 0.00 +0.009 A ATOM 31 C LIG 1 4.165 0.573 2.023 0.00 0.00 +0.006 A BRANCH 29 32 ATOM 32 C LIG 1 6.821 -0.023 -0.614 0.00 0.00 -0.016 A ATOM 33 C LIG 1 6.823 1.053 -1.521 0.00 0.00 +0.031 A ATOM 34 C LIG 1 7.879 1.259 -2.416 0.00 0.00 +0.025 A ATOM 35 C LIG 1 9.000 0.433 -2.330 0.00 0.00 +0.023 A ATOM 36 C LIG 1 9.023 -0.642 -1.442 0.00 0.00 +0.002 A ATOM 37 C LIG 1 7.936 -0.874 -0.598 0.00 0.00 +0.008 A BRANCH 34 38 ATOM 38 N LIG 1 7.905 2.402 -3.225 0.00 0.00 -0.358 N ATOM 39 H LIG 1 6.982 2.748 -3.470 0.00 0.00 +0.142 HD ATOM 40 H LIG 1 8.509 2.313 -4.036 0.00 0.00 +0.142 HD ENDBRANCH 34 38 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 8