REMARK Name = BDB016127 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.859 0.150 -2.129 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -2.164 -0.936 -1.311 0.00 0.00 +0.076 C ATOM 3 N LIG 1 -1.063 -0.417 -0.521 0.00 0.00 -0.339 N ATOM 4 H LIG 1 -0.268 -0.155 -1.104 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -1.216 0.469 0.553 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -2.399 0.657 1.304 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -2.416 1.602 2.353 0.00 0.00 +0.025 A ATOM 8 C LIG 1 -1.284 2.325 2.712 0.00 0.00 +0.002 A ATOM 9 C LIG 1 -0.099 2.109 2.030 0.00 0.00 +0.010 A ATOM 10 N LIG 1 -3.637 0.008 1.125 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -4.411 0.345 1.685 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -4.034 -1.034 0.357 0.00 0.00 +0.219 C ATOM 13 O LIG 1 -5.221 -1.373 0.405 0.00 0.00 -0.275 OA ATOM 14 C LIG 1 -0.050 1.185 0.976 0.00 0.00 -0.002 A ATOM 15 C LIG 1 -3.063 -1.808 -0.470 0.00 0.00 +0.118 C ENDROOT BRANCH 14 16 ATOM 16 C LIG 1 1.269 1.028 0.334 0.00 0.00 +0.012 C ATOM 17 C LIG 1 1.980 -0.106 0.440 0.00 0.00 +0.028 C BRANCH 17 18 ATOM 18 C LIG 1 3.298 -0.308 -0.177 0.00 0.00 +0.064 A ATOM 19 N LIG 1 3.801 0.703 -0.924 0.00 0.00 -0.256 NA ATOM 20 C LIG 1 5.012 0.512 -1.492 0.00 0.00 +0.111 A ATOM 21 C LIG 1 5.755 -0.647 -1.355 0.00 0.00 +0.020 A ATOM 22 C LIG 1 5.225 -1.676 -0.587 0.00 0.00 +0.004 A ATOM 23 C LIG 1 3.978 -1.508 0.012 0.00 0.00 +0.028 A ENDBRANCH 17 18 ENDBRANCH 14 16 TORSDOF 2