REMARK Name = BDB062151 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.090 0.639 1.689 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -1.579 0.377 0.298 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -2.071 1.047 -0.842 0.00 0.00 +0.008 A ATOM 4 C LIG 1 -1.516 0.769 -2.114 0.00 0.00 -0.041 A ATOM 5 C LIG 1 -1.957 1.510 -3.350 0.00 0.00 +0.044 C ATOM 6 C LIG 1 -0.505 -0.199 -2.233 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -0.036 -0.896 -1.115 0.00 0.00 -0.033 A ATOM 8 C LIG 1 -0.584 -0.605 0.141 0.00 0.00 +0.009 A ENDROOT BRANCH 3 9 ATOM 9 C LIG 1 -3.136 2.033 -0.731 0.00 0.00 +0.097 A ATOM 10 C LIG 1 -4.487 1.761 -0.545 0.00 0.00 +0.077 A ATOM 11 N LIG 1 -5.080 3.006 -0.613 0.00 0.00 -0.333 N ATOM 12 C LIG 1 -6.491 3.303 -0.569 0.00 0.00 +0.150 C ATOM 13 C LIG 1 -4.096 3.939 -0.777 0.00 0.00 +0.200 A ATOM 14 N LIG 1 -2.911 3.383 -0.861 0.00 0.00 -0.235 NA BRANCH 10 15 ATOM 15 C LIG 1 -5.214 0.496 -0.395 0.00 0.00 +0.008 A ATOM 16 C LIG 1 -5.840 0.112 0.826 0.00 0.00 -0.007 A ATOM 17 C LIG 1 -6.557 -1.115 0.883 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.183 -1.477 2.103 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -7.104 -0.673 3.239 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -6.393 0.514 3.191 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -6.615 -1.931 -0.277 0.00 0.00 +0.059 A ATOM 22 C LIG 1 -5.979 -1.542 -1.460 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -5.770 0.897 2.004 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -5.287 -0.339 -1.518 0.00 0.00 +0.012 A BRANCH 21 25 ATOM 25 C LIG 1 -7.321 -3.183 -0.284 0.00 0.00 +0.100 C ATOM 26 N LIG 1 -7.894 -4.192 -0.297 0.00 0.00 -0.191 NA ENDBRANCH 21 25 ENDBRANCH 10 15 ENDBRANCH 3 9 BRANCH 7 27 ATOM 27 C LIG 1 1.042 -1.951 -1.257 0.00 0.00 +0.119 C BRANCH 27 28 ATOM 28 N LIG 1 2.230 -1.686 -0.428 0.00 0.00 -0.295 NA ATOM 29 C LIG 1 3.134 -2.856 -0.448 0.00 0.00 +0.104 C ATOM 30 C LIG 1 4.395 -2.634 0.404 0.00 0.00 +0.126 C ATOM 31 N LIG 1 5.088 -1.396 0.064 0.00 0.00 -0.265 N ATOM 32 C LIG 1 6.432 -1.295 0.383 0.00 0.00 +0.403 C ATOM 33 O LIG 1 7.116 -2.246 0.739 0.00 0.00 -0.226 OA ATOM 34 C LIG 1 4.233 -0.216 -0.069 0.00 0.00 +0.126 C ATOM 35 C LIG 1 2.970 -0.496 -0.904 0.00 0.00 +0.104 C BRANCH 32 36 ATOM 36 O LIG 1 6.895 -0.025 0.249 0.00 0.00 -0.445 OA BRANCH 36 37 ATOM 37 C LIG 1 8.279 0.302 0.533 0.00 0.00 +0.107 C ATOM 38 C LIG 1 8.382 1.812 0.263 0.00 0.00 +0.055 C ATOM 39 C LIG 1 8.623 0.045 2.004 0.00 0.00 +0.055 C ATOM 40 C LIG 1 9.233 -0.429 -0.417 0.00 0.00 +0.055 C ENDBRANCH 36 37 ENDBRANCH 32 36 ENDBRANCH 27 28 ENDBRANCH 7 27 TORSDOF 7