REMARK Name = BDB002441 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.091 5.680 2.228 0.00 0.00 +0.065 C ATOM 2 C LIG 1 -0.885 4.506 1.262 0.00 0.00 +0.181 C ATOM 3 C LIG 1 -1.916 3.402 1.584 0.00 0.00 +0.264 C ATOM 4 O LIG 1 -3.023 3.656 2.061 0.00 0.00 -0.271 OA ATOM 5 N LIG 1 -1.531 2.119 1.214 0.00 0.00 -0.256 N ATOM 6 C LIG 1 -0.190 1.858 0.820 0.00 0.00 +0.079 A ATOM 7 C LIG 1 0.769 2.872 0.940 0.00 0.00 +0.143 A ATOM 8 C LIG 1 2.108 2.639 0.616 0.00 0.00 +0.048 A ATOM 9 C LIG 1 2.511 1.389 0.148 0.00 0.00 +0.017 A ATOM 10 C LIG 1 1.572 0.362 0.024 0.00 0.00 +0.039 A ATOM 11 C LIG 1 0.227 0.606 0.349 0.00 0.00 +0.040 A ATOM 12 O LIG 1 0.486 4.131 1.393 0.00 0.00 -0.475 OA ATOM 13 C LIG 1 -1.129 5.000 -0.174 0.00 0.00 +0.065 C ENDROOT BRANCH 10 14 ATOM 14 C LIG 1 1.936 -1.002 -0.454 0.00 0.00 +0.244 C ATOM 15 N LIG 1 3.253 -1.384 -0.290 0.00 0.00 -0.308 N ATOM 16 H LIG 1 3.837 -0.842 0.332 0.00 0.00 +0.149 HD ATOM 17 O LIG 1 1.073 -1.736 -0.923 0.00 0.00 -0.270 OA BRANCH 15 18 ATOM 18 C LIG 1 3.679 -2.744 -0.590 0.00 0.00 +0.073 C ATOM 19 C LIG 1 5.196 -2.837 -0.716 0.00 0.00 +0.022 C ATOM 20 C LIG 1 5.705 -2.963 0.719 0.00 0.00 +0.002 C ATOM 21 C LIG 1 4.526 -3.470 1.550 0.00 0.00 +0.002 C ATOM 22 C LIG 1 3.383 -3.698 0.565 0.00 0.00 +0.022 C ENDBRANCH 15 18 ENDBRANCH 10 14 BRANCH 5 23 ATOM 23 C LIG 1 -2.553 1.078 1.179 0.00 0.00 +0.209 C BRANCH 23 24 ATOM 24 C LIG 1 -3.076 0.881 -0.249 0.00 0.00 +0.231 C ATOM 25 N LIG 1 -3.587 -0.385 -0.483 0.00 0.00 -0.311 N ATOM 26 H LIG 1 -3.388 -1.117 0.186 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 -3.062 1.764 -1.103 0.00 0.00 -0.274 OA BRANCH 25 28 ATOM 28 C LIG 1 -3.986 -0.787 -1.825 0.00 0.00 +0.073 C ATOM 29 C LIG 1 -2.785 -1.193 -2.676 0.00 0.00 +0.022 C ATOM 30 C LIG 1 -2.481 -2.625 -2.245 0.00 0.00 +0.002 C ATOM 31 C LIG 1 -3.803 -3.203 -1.740 0.00 0.00 +0.002 C ATOM 32 C LIG 1 -4.820 -2.064 -1.799 0.00 0.00 +0.022 C ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 5 23 TORSDOF 5