REMARK Name = BDB057399 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.039 0.177 0.105 0.00 0.00 +0.127 A ATOM 2 N LIG 1 -0.713 1.286 0.448 0.00 0.00 -0.211 NA ATOM 3 C LIG 1 -1.888 1.142 1.098 0.00 0.00 +0.182 A ATOM 4 N LIG 1 -2.434 -0.044 1.419 0.00 0.00 -0.211 NA ATOM 5 C LIG 1 -1.766 -1.145 1.066 0.00 0.00 +0.124 A ATOM 6 C LIG 1 -0.564 -1.071 0.389 0.00 0.00 +0.087 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.997 -0.492 -2.077 0.00 0.00 +0.239 C ATOM 8 N LIG 1 3.623 -0.509 -2.283 0.00 0.00 -0.296 N ATOM 9 C LIG 1 2.833 -1.333 -1.363 0.00 0.00 +0.127 C ATOM 10 C LIG 1 2.297 -0.539 -0.158 0.00 0.00 +0.125 C ATOM 11 N LIG 1 1.170 0.305 -0.595 0.00 0.00 -0.313 N ATOM 12 C LIG 1 1.464 1.660 -1.072 0.00 0.00 +0.108 C ATOM 13 C LIG 1 2.703 1.768 -1.966 0.00 0.00 +0.038 C ATOM 14 C LIG 1 2.898 0.595 -2.928 0.00 0.00 +0.109 C ATOM 15 O LIG 1 5.556 -1.083 -1.155 0.00 0.00 -0.271 OA BRANCH 7 17 ATOM 16 C LIG 1 5.860 0.053 -4.320 0.00 0.00 +0.013 C ATOM 17 C LIG 1 5.836 0.304 -3.005 0.00 0.00 +0.060 C ENDBRANCH 7 17 ENDBRANCH 1 11 BRANCH 3 18 ATOM 18 C LIG 1 -2.617 2.380 1.483 0.00 0.00 +0.108 A ATOM 19 N LIG 1 -3.794 2.238 2.162 0.00 0.00 -0.252 NA ATOM 20 C LIG 1 -4.466 3.354 2.518 0.00 0.00 +0.111 A ATOM 21 C LIG 1 -4.033 4.637 2.237 0.00 0.00 +0.020 A ATOM 22 C LIG 1 -2.838 4.786 1.549 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -2.123 3.651 1.169 0.00 0.00 +0.031 A ENDBRANCH 3 18 BRANCH 5 24 ATOM 24 N LIG 1 -2.303 -2.423 1.328 0.00 0.00 -0.328 N ATOM 25 H LIG 1 -1.585 -2.981 1.797 0.00 0.00 +0.147 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.532 -2.397 2.128 0.00 0.00 +0.114 C BRANCH 26 27 ATOM 27 C LIG 1 -4.091 -3.805 2.292 0.00 0.00 +0.139 C BRANCH 27 28 ATOM 28 C LIG 1 -3.237 -4.626 3.214 0.00 0.00 +0.306 C ATOM 29 O LIG 1 -2.050 -4.474 3.451 0.00 0.00 -0.251 OA BRANCH 28 30 ATOM 30 O LIG 1 -3.920 -5.648 3.769 0.00 0.00 -0.481 OA ATOM 31 H LIG 1 -3.256 -6.114 4.319 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 5 24 TORSDOF 8