REMARK Name = BDB051688 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.009 1.853 -3.452 0.00 0.00 +0.046 C ATOM 2 C LIG 1 0.668 1.579 -2.028 0.00 0.00 -0.022 A ATOM 3 C LIG 1 1.383 0.724 -1.134 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.722 0.746 0.096 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.173 -0.012 1.192 0.00 0.00 +0.027 A ATOM 6 C LIG 1 2.322 -0.794 1.036 0.00 0.00 +0.015 A ATOM 7 C LIG 1 3.012 -0.817 -0.178 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -0.366 1.591 -0.044 0.00 0.00 -0.339 N ATOM 9 C LIG 1 2.541 -0.073 -1.269 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -0.402 2.112 -1.324 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -1.458 3.058 -1.789 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 4.240 -1.639 -0.368 0.00 0.00 +0.244 C ATOM 13 N LIG 1 5.012 -1.844 0.756 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.850 -1.262 1.565 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 4.531 -2.064 -1.480 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 6.303 -2.492 0.674 0.00 0.00 +0.139 C BRANCH 16 17 ATOM 17 C LIG 1 7.414 -1.474 0.702 0.00 0.00 -0.030 A ATOM 18 C LIG 1 8.110 -1.201 1.887 0.00 0.00 +0.005 A ATOM 19 C LIG 1 9.125 -0.242 1.907 0.00 0.00 +0.000 A ATOM 20 C LIG 1 9.447 0.458 0.745 0.00 0.00 +0.000 A ATOM 21 C LIG 1 8.756 0.200 -0.437 0.00 0.00 +0.000 A ATOM 22 C LIG 1 7.743 -0.759 -0.459 0.00 0.00 +0.005 A ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 23 ATOM 23 C LIG 1 -1.304 1.923 1.030 0.00 0.00 +0.157 C BRANCH 23 24 ATOM 24 C LIG 1 -2.647 1.248 0.875 0.00 0.00 -0.028 A ATOM 25 C LIG 1 -2.755 -0.136 0.676 0.00 0.00 +0.006 A ATOM 26 C LIG 1 -4.008 -0.743 0.554 0.00 0.00 +0.009 A ATOM 27 C LIG 1 -5.187 0.012 0.634 0.00 0.00 -0.017 A ATOM 28 C LIG 1 -5.076 1.392 0.854 0.00 0.00 +0.009 A ATOM 29 C LIG 1 -3.824 2.002 0.976 0.00 0.00 +0.006 A BRANCH 27 30 ATOM 30 C LIG 1 -6.506 -0.628 0.504 0.00 0.00 -0.004 A ATOM 31 C LIG 1 -6.962 -1.230 -0.687 0.00 0.00 +0.067 A ATOM 32 C LIG 1 -8.197 -1.898 -0.729 0.00 0.00 +0.015 A ATOM 33 C LIG 1 -9.008 -1.945 0.403 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -8.587 -1.335 1.580 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -7.349 -0.687 1.631 0.00 0.00 +0.009 A BRANCH 31 36 ATOM 36 C LIG 1 -6.184 -1.217 -1.942 0.00 0.00 +0.337 C ATOM 37 O LIG 1 -5.985 -2.178 -2.661 0.00 0.00 -0.245 OA BRANCH 36 38 ATOM 38 O LIG 1 -5.781 0.020 -2.273 0.00 0.00 -0.477 OA ATOM 39 H LIG 1 -5.278 -0.102 -3.105 0.00 0.00 +0.295 HD ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 27 30 ENDBRANCH 23 24 ENDBRANCH 8 23 TORSDOF 8