REMARK Name = BDB017592 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.927 -2.220 0.981 0.00 0.00 -0.031 A ATOM 2 C LIG 1 1.720 -1.227 1.571 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.620 -0.486 0.798 0.00 0.00 +0.051 A ATOM 4 C LIG 1 2.751 -0.702 -0.582 0.00 0.00 +0.020 A ATOM 5 C LIG 1 3.708 0.134 -1.346 0.00 0.00 +0.045 A ATOM 6 N LIG 1 3.779 0.002 -2.732 0.00 0.00 -0.343 N ATOM 7 H LIG 1 2.897 -0.278 -3.150 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 4.502 0.981 -3.536 0.00 0.00 +0.102 C ATOM 9 C LIG 1 5.792 1.369 -2.824 0.00 0.00 +0.023 C ATOM 10 C LIG 1 5.500 1.870 -1.406 0.00 0.00 +0.044 C ATOM 11 C LIG 1 4.485 1.019 -0.689 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.359 1.220 0.779 0.00 0.00 +0.254 A ATOM 13 O LIG 1 5.054 2.030 1.385 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 1.983 -1.721 -1.159 0.00 0.00 +0.012 A ATOM 15 N LIG 1 3.419 0.473 1.428 0.00 0.00 -0.322 N ATOM 16 H LIG 1 3.350 0.627 2.424 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 1.083 -2.469 -0.389 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 -0.056 -3.026 1.806 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 -3.253 -0.295 1.092 0.00 0.00 -0.325 N ATOM 20 C LIG 1 -3.508 -1.706 0.750 0.00 0.00 +0.120 C ATOM 21 C LIG 1 -2.186 -2.508 0.669 0.00 0.00 +0.103 C ATOM 22 N LIG 1 -1.415 -2.494 1.921 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 -1.538 -1.218 2.642 0.00 0.00 +0.103 C ATOM 24 C LIG 1 -1.981 -0.010 1.781 0.00 0.00 +0.120 C BRANCH 19 29 ATOM 25 C LIG 1 -5.769 2.791 -0.372 0.00 0.00 +0.055 A ATOM 26 C LIG 1 -4.447 3.073 -0.042 0.00 0.00 +0.059 A ATOM 27 C LIG 1 -3.618 2.056 0.439 0.00 0.00 +0.146 A ATOM 28 F LIG 1 -2.349 2.397 0.713 0.00 0.00 -0.204 F ATOM 29 C LIG 1 -4.060 0.726 0.607 0.00 0.00 +0.066 A ATOM 30 C LIG 1 -5.403 0.482 0.269 0.00 0.00 +0.027 A ATOM 31 C LIG 1 -6.248 1.492 -0.214 0.00 0.00 +0.021 A BRANCH 25 33 ATOM 32 N LIG 1 -7.325 4.662 -1.269 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 -6.628 3.826 -0.867 0.00 0.00 +0.099 C ENDBRANCH 25 33 ENDBRANCH 19 29 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4