REMARK Name = BDB016508 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.196 -5.921 -0.619 0.00 0.00 -0.268 OA ATOM 2 C LIG 1 0.089 -4.693 -0.531 0.00 0.00 +0.267 C ATOM 3 C LIG 1 -1.222 -4.118 -0.120 0.00 0.00 +0.126 A ATOM 4 N LIG 1 -1.554 -2.885 -0.582 0.00 0.00 -0.242 NA ATOM 5 C LIG 1 -2.757 -2.400 -0.200 0.00 0.00 +0.075 A ATOM 6 C LIG 1 -3.667 -3.127 0.567 0.00 0.00 +0.028 A ATOM 7 C LIG 1 -3.321 -4.406 0.987 0.00 0.00 +0.004 A ATOM 8 C LIG 1 -3.021 -1.030 -0.584 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -2.516 -0.260 -1.655 0.00 0.00 +0.144 A ATOM 10 N LIG 1 -2.931 1.013 -1.617 0.00 0.00 -0.179 NA ATOM 11 N LIG 1 -3.620 1.078 -0.463 0.00 0.00 -0.271 N ATOM 12 C LIG 1 -4.040 2.354 0.081 0.00 0.00 +0.143 C ATOM 13 C LIG 1 -2.916 3.378 0.271 0.00 0.00 +0.023 C ATOM 14 C LIG 1 -1.613 2.859 0.891 0.00 0.00 +0.002 C ATOM 15 C LIG 1 -1.770 2.148 2.240 0.00 0.00 +0.002 C ATOM 16 C LIG 1 -0.423 1.766 2.873 0.00 0.00 +0.019 C ATOM 17 C LIG 1 0.403 0.759 2.065 0.00 0.00 +0.104 C ATOM 18 N LIG 1 -0.085 -0.605 2.183 0.00 0.00 -0.310 N ATOM 19 H LIG 1 -0.479 -0.877 3.073 0.00 0.00 +0.149 HD ATOM 20 C LIG 1 0.394 -1.726 1.514 0.00 0.00 +0.266 C ATOM 21 O LIG 1 0.146 -2.819 2.032 0.00 0.00 -0.268 OA ATOM 22 C LIG 1 1.193 -1.602 0.273 0.00 0.00 +0.168 A ATOM 23 C LIG 1 1.500 -2.604 -0.716 0.00 0.00 +0.084 A ATOM 24 C LIG 1 2.421 -2.007 -1.551 0.00 0.00 +0.132 A ATOM 25 N LIG 1 2.557 -0.726 -1.125 0.00 0.00 -0.266 N ATOM 26 N LIG 1 1.878 -0.469 -0.003 0.00 0.00 -0.164 NA ATOM 27 C LIG 1 -3.772 -0.134 0.148 0.00 0.00 +0.118 A ATOM 28 C LIG 1 -2.075 -4.912 0.643 0.00 0.00 +0.033 A ATOM 29 N LIG 1 1.146 -3.921 -0.949 0.00 0.00 -0.277 N ATOM 30 H LIG 1 1.799 -4.456 -1.507 0.00 0.00 +0.155 HD ENDROOT BRANCH 25 31 ATOM 31 C LIG 1 3.349 0.321 -1.758 0.00 0.00 +0.110 C ATOM 32 C LIG 1 4.573 0.707 -0.910 0.00 0.00 +0.042 C ATOM 33 C LIG 1 4.926 2.187 -1.045 0.00 0.00 +0.083 C ATOM 34 N LIG 1 4.745 2.624 -2.423 0.00 0.00 -0.316 NA ATOM 35 H LIG 1 5.114 3.568 -2.546 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 3.340 2.594 -2.837 0.00 0.00 +0.083 C ATOM 37 C LIG 1 2.499 1.547 -2.106 0.00 0.00 +0.042 C ENDBRANCH 25 31 TORSDOF 1