REMARK Name = BDB059873 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.039 2.368 -0.752 0.00 0.00 +0.057 A ATOM 2 C LIG 1 0.326 2.034 -0.590 0.00 0.00 +0.022 A ATOM 3 C LIG 1 1.536 2.757 -0.742 0.00 0.00 +0.029 A ATOM 4 C LIG 1 2.573 1.888 -0.514 0.00 0.00 +0.088 A ATOM 5 N LIG 1 2.057 0.677 -0.081 0.00 0.00 -0.330 N ATOM 6 C LIG 1 0.670 0.720 -0.243 0.00 0.00 +0.053 A ATOM 7 C LIG 1 -0.324 -0.272 -0.130 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -1.674 0.078 -0.294 0.00 0.00 -0.012 A ATOM 9 C LIG 1 -2.027 1.397 -0.576 0.00 0.00 +0.033 A ENDROOT BRANCH 8 10 ATOM 10 C LIG 1 -2.696 -0.948 -0.184 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -2.793 -2.225 -0.785 0.00 0.00 +0.014 A ATOM 12 C LIG 1 -3.949 -2.841 -0.342 0.00 0.00 +0.115 A ATOM 13 C LIG 1 -4.357 -4.164 -0.760 0.00 0.00 +0.273 A ATOM 14 N LIG 1 -3.474 -4.757 -1.656 0.00 0.00 -0.327 N ATOM 15 H LIG 1 -3.730 -5.683 -1.972 0.00 0.00 +0.168 HD ATOM 16 C LIG 1 -2.317 -4.157 -2.119 0.00 0.00 +0.086 A ATOM 17 O LIG 1 -5.373 -4.743 -0.387 0.00 0.00 -0.266 OA ATOM 18 N LIG 1 -4.567 -1.972 0.518 0.00 0.00 -0.345 N ATOM 19 C LIG 1 -5.808 -2.222 1.216 0.00 0.00 +0.149 C ATOM 20 C LIG 1 -1.964 -2.924 -1.711 0.00 0.00 +0.028 A ATOM 21 C LIG 1 -3.819 -0.821 0.620 0.00 0.00 +0.095 A ENDBRANCH 8 10 BRANCH 1 22 ATOM 22 N LIG 1 -1.428 3.714 -1.046 0.00 0.00 -0.220 N ATOM 23 H LIG 1 -0.763 4.206 -1.646 0.00 0.00 +0.173 HD BRANCH 22 24 ATOM 24 S LIG 1 -1.773 4.702 0.289 0.00 0.00 +0.043 S ATOM 25 O LIG 1 -1.444 4.028 1.524 0.00 0.00 -0.155 OA ATOM 26 O LIG 1 -1.211 5.996 -0.042 0.00 0.00 -0.155 OA BRANCH 24 28 ATOM 27 C LIG 1 -4.125 5.746 1.208 0.00 0.00 +0.030 C ATOM 28 C LIG 1 -3.551 4.825 0.150 0.00 0.00 +0.185 C ENDBRANCH 24 28 ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 5 29 ATOM 29 C LIG 1 2.876 -0.456 0.468 0.00 0.00 +0.126 C ATOM 30 C LIG 1 2.184 -1.097 1.710 0.00 0.00 +0.048 C BRANCH 29 31 ATOM 31 C LIG 1 3.042 -1.567 -0.608 0.00 0.00 +0.073 A ATOM 32 N LIG 1 2.408 -1.430 -1.807 0.00 0.00 -0.257 NA ATOM 33 C LIG 1 2.536 -2.413 -2.724 0.00 0.00 +0.111 A ATOM 34 C LIG 1 3.253 -3.574 -2.511 0.00 0.00 +0.020 A ATOM 35 C LIG 1 3.882 -3.733 -1.285 0.00 0.00 +0.003 A ATOM 36 C LIG 1 3.776 -2.728 -0.326 0.00 0.00 +0.026 A ENDBRANCH 29 31 BRANCH 29 37 ATOM 37 C LIG 1 4.242 0.098 0.999 0.00 0.00 +0.073 A ATOM 38 N LIG 1 5.396 -0.304 0.401 0.00 0.00 -0.257 NA ATOM 39 C LIG 1 6.568 0.186 0.863 0.00 0.00 +0.111 A ATOM 40 C LIG 1 6.668 1.069 1.921 0.00 0.00 +0.020 A ATOM 41 C LIG 1 5.497 1.480 2.539 0.00 0.00 +0.003 A ATOM 42 C LIG 1 4.274 0.996 2.079 0.00 0.00 +0.026 A ENDBRANCH 29 37 ENDBRANCH 5 29 TORSDOF 7