REMARK Name = BDB006499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.474 -1.147 0.537 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.736 -1.988 1.383 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.421 -2.363 1.033 0.00 0.00 +0.004 A ATOM 4 C LIG 1 0.572 -3.172 1.665 0.00 0.00 -0.022 A ATOM 5 C LIG 1 1.685 -3.186 0.837 0.00 0.00 +0.020 A ATOM 6 N LIG 1 1.399 -2.405 -0.267 0.00 0.00 -0.339 N ATOM 7 C LIG 1 2.994 -3.874 1.028 0.00 0.00 +0.064 C ATOM 8 C LIG 1 0.441 -3.877 2.971 0.00 0.00 +0.046 C ATOM 9 C LIG 1 0.114 -1.894 -0.169 0.00 0.00 +0.050 A ATOM 10 C LIG 1 -0.622 -1.064 -1.034 0.00 0.00 +0.027 A ATOM 11 C LIG 1 -1.922 -0.702 -0.666 0.00 0.00 +0.015 A ENDROOT BRANCH 1 14 ATOM 12 N LIG 1 -4.300 0.458 0.526 0.00 0.00 -0.305 N ATOM 13 H LIG 1 -3.645 1.109 0.118 0.00 0.00 +0.150 HD ATOM 14 C LIG 1 -3.854 -0.774 0.951 0.00 0.00 +0.245 C ATOM 15 O LIG 1 -4.518 -1.529 1.651 0.00 0.00 -0.270 OA BRANCH 12 16 ATOM 16 C LIG 1 -5.600 0.978 0.917 0.00 0.00 +0.101 C ATOM 17 C LIG 1 -5.559 1.523 2.350 0.00 0.00 +0.033 C BRANCH 16 20 ATOM 18 C LIG 1 -7.146 0.124 -1.508 0.00 0.00 +0.044 C ATOM 19 C LIG 1 -6.774 1.567 -1.282 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -6.059 1.987 -0.133 0.00 0.00 -0.024 A ATOM 21 C LIG 1 -5.726 3.351 -0.013 0.00 0.00 +0.007 A ATOM 22 C LIG 1 -6.118 4.282 -0.979 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -6.841 3.861 -2.087 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 -7.326 5.005 -3.277 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -7.168 2.517 -2.243 0.00 0.00 +0.023 A ENDBRANCH 16 20 ENDBRANCH 12 16 ENDBRANCH 1 14 BRANCH 6 26 ATOM 26 C LIG 1 2.293 -2.192 -1.406 0.00 0.00 +0.157 C BRANCH 26 27 ATOM 27 C LIG 1 3.406 -1.212 -1.116 0.00 0.00 -0.028 A ATOM 28 C LIG 1 3.155 0.043 -0.546 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.199 0.945 -0.315 0.00 0.00 +0.009 A ATOM 30 C LIG 1 5.523 0.627 -0.655 0.00 0.00 -0.018 A ATOM 31 C LIG 1 5.766 -0.626 -1.238 0.00 0.00 +0.009 A ATOM 32 C LIG 1 4.724 -1.530 -1.471 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 6.620 1.577 -0.409 0.00 0.00 -0.018 A ATOM 34 C LIG 1 7.756 1.196 0.325 0.00 0.00 +0.008 A ATOM 35 C LIG 1 8.799 2.097 0.558 0.00 0.00 +0.001 A ATOM 36 C LIG 1 8.723 3.396 0.060 0.00 0.00 +0.000 A ATOM 37 C LIG 1 7.606 3.793 -0.670 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.564 2.891 -0.901 0.00 0.00 +0.008 A ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 6 26 TORSDOF 6