REMARK Name = BDB053212 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.306 0.135 0.208 0.00 0.00 +0.127 A ATOM 2 N LIG 1 0.947 1.237 0.885 0.00 0.00 -0.200 NA ATOM 3 C LIG 1 1.913 1.992 1.405 0.00 0.00 +0.215 A ATOM 4 N LIG 1 3.216 1.731 1.326 0.00 0.00 -0.215 NA ATOM 5 C LIG 1 3.580 0.633 0.635 0.00 0.00 +0.078 A ATOM 6 C LIG 1 2.640 -0.193 0.048 0.00 0.00 +0.072 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 5.037 0.390 0.539 0.00 0.00 +0.003 A ATOM 8 C LIG 1 5.933 1.480 0.510 0.00 0.00 +0.037 A ATOM 9 C LIG 1 7.305 1.221 0.414 0.00 0.00 +0.068 A ATOM 10 C LIG 1 7.832 -0.061 0.348 0.00 0.00 +0.041 A ATOM 11 C LIG 1 9.237 0.134 0.259 0.00 0.00 +0.146 A ATOM 12 N LIG 1 9.570 1.421 0.261 0.00 0.00 -0.158 NA ATOM 13 C LIG 1 6.952 -1.155 0.389 0.00 0.00 +0.014 A ATOM 14 N LIG 1 8.390 2.055 0.369 0.00 0.00 -0.275 N ATOM 15 H LIG 1 8.390 3.067 0.405 0.00 0.00 +0.189 HD ATOM 16 C LIG 1 5.570 -0.913 0.485 0.00 0.00 +0.011 A BRANCH 11 17 ATOM 17 N LIG 1 10.142 -0.853 0.165 0.00 0.00 -0.341 N ATOM 18 H LIG 1 11.068 -0.560 -0.126 0.00 0.00 +0.144 HD ATOM 19 H LIG 1 9.865 -1.744 -0.227 0.00 0.00 +0.144 HD ENDBRANCH 11 17 ENDBRANCH 5 7 BRANCH 1 23 ATOM 20 C LIG 1 0.013 -3.289 -1.992 0.00 0.00 +0.009 C ATOM 21 C LIG 1 -0.624 -2.956 -0.640 0.00 0.00 +0.005 C ATOM 22 C LIG 1 0.285 -2.039 0.197 0.00 0.00 +0.110 C ATOM 23 N LIG 1 0.319 -0.685 -0.390 0.00 0.00 -0.313 N ATOM 24 C LIG 1 -1.016 -0.044 -0.410 0.00 0.00 +0.129 C ATOM 25 C LIG 1 -1.976 -0.884 -1.287 0.00 0.00 +0.093 C ATOM 26 C LIG 1 -2.027 -2.345 -0.802 0.00 0.00 +0.029 C BRANCH 25 27 ATOM 27 N LIG 1 -3.323 -0.290 -1.448 0.00 0.00 -0.300 N ATOM 28 C LIG 1 -4.127 -0.075 -0.327 0.00 0.00 +0.216 C ATOM 29 O LIG 1 -3.758 -0.399 0.801 0.00 0.00 -0.276 OA ATOM 30 C LIG 1 -3.679 0.100 -2.807 0.00 0.00 +0.132 C BRANCH 28 31 ATOM 31 C LIG 1 -5.487 0.579 -0.569 0.00 0.00 +0.102 C BRANCH 31 32 ATOM 32 C LIG 1 -6.389 0.846 0.665 0.00 0.00 -0.029 C ATOM 33 C LIG 1 -6.775 -0.460 1.379 0.00 0.00 +0.011 C ATOM 34 C LIG 1 -5.720 1.813 1.657 0.00 0.00 +0.011 C ATOM 35 C LIG 1 -7.688 1.511 0.158 0.00 0.00 +0.011 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 25 27 ENDBRANCH 1 23 BRANCH 3 36 ATOM 36 N LIG 1 1.530 3.105 2.127 0.00 0.00 -0.327 N ATOM 37 H LIG 1 0.588 2.969 2.466 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 2.241 3.319 2.812 0.00 0.00 +0.145 HD ENDBRANCH 3 36 TORSDOF 7