REMARK Name = BDB015209 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.101 -0.288 1.338 0.00 0.00 +0.023 A ATOM 2 C LIG 1 -1.259 -0.655 1.447 0.00 0.00 +0.057 A ATOM 3 C LIG 1 -2.122 -0.020 2.345 0.00 0.00 +0.121 A ATOM 4 C LIG 1 -1.631 1.000 3.159 0.00 0.00 +0.046 A ATOM 5 C LIG 1 -0.297 1.387 3.076 0.00 0.00 +0.004 A ATOM 6 C LIG 1 0.557 0.749 2.175 0.00 0.00 +0.012 A ENDROOT BRANCH 1 12 ATOM 7 N LIG 1 4.373 -1.002 -0.794 0.00 0.00 -0.323 N ATOM 8 C LIG 1 3.039 -1.214 -0.543 0.00 0.00 +0.145 A ATOM 9 C LIG 1 2.605 -2.225 -1.386 0.00 0.00 +0.037 A ATOM 10 C LIG 1 1.264 -2.575 -1.287 0.00 0.00 +0.124 A ATOM 11 N LIG 1 0.471 -1.938 -0.395 0.00 0.00 -0.235 NA ATOM 12 C LIG 1 1.008 -0.964 0.380 0.00 0.00 +0.162 A ATOM 13 C LIG 1 3.723 -2.646 -2.151 0.00 0.00 +0.031 A ATOM 14 N LIG 1 2.296 -0.558 0.362 0.00 0.00 -0.210 NA ATOM 15 C LIG 1 4.806 -1.888 -1.753 0.00 0.00 +0.089 A BRANCH 7 16 ATOM 16 C LIG 1 5.201 -0.039 -0.084 0.00 0.00 +0.219 C BRANCH 16 22 ATOM 17 C LIG 1 11.723 0.537 -0.932 0.00 0.00 +0.105 C ATOM 18 N LIG 1 10.352 0.684 -0.457 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 9.617 -0.586 -0.531 0.00 0.00 +0.103 C ATOM 20 C LIG 1 8.134 -0.414 -0.154 0.00 0.00 +0.123 C ATOM 21 N LIG 1 7.451 0.602 -0.962 0.00 0.00 -0.298 N ATOM 22 C LIG 1 6.074 0.781 -1.018 0.00 0.00 +0.235 C ATOM 23 O LIG 1 5.562 1.587 -1.800 0.00 0.00 -0.274 OA ATOM 24 C LIG 1 8.312 1.420 -1.818 0.00 0.00 +0.123 C ATOM 25 C LIG 1 9.645 1.791 -1.134 0.00 0.00 +0.103 C ENDBRANCH 16 22 ENDBRANCH 7 16 ENDBRANCH 1 12 BRANCH 3 26 ATOM 26 O LIG 1 -3.448 -0.302 2.524 0.00 0.00 -0.489 OA BRANCH 26 27 ATOM 27 C LIG 1 -4.025 -1.295 1.675 0.00 0.00 +0.261 C BRANCH 27 28 ATOM 28 C LIG 1 -5.527 -1.409 1.978 0.00 0.00 +0.166 C BRANCH 28 29 ATOM 29 O LIG 1 -6.095 -2.550 1.327 0.00 0.00 -0.387 OA ATOM 30 H LIG 1 -5.628 -3.336 1.659 0.00 0.00 +0.210 HD ENDBRANCH 28 29 BRANCH 28 31 ATOM 31 C LIG 1 -6.314 -0.117 1.633 0.00 0.00 +0.119 C BRANCH 31 32 ATOM 32 N LIG 1 -6.102 0.405 0.266 0.00 0.00 -0.295 NA ATOM 33 C LIG 1 -6.882 -0.319 -0.756 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -8.354 0.040 -0.817 0.00 0.00 -0.030 A ATOM 35 C LIG 1 -8.823 1.266 -0.309 0.00 0.00 -0.042 A ATOM 36 C LIG 1 -10.182 1.589 -0.414 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -11.069 0.712 -1.039 0.00 0.00 +0.000 A ATOM 38 C LIG 1 -10.605 -0.495 -1.558 0.00 0.00 +0.000 A ATOM 39 C LIG 1 -7.879 2.197 0.407 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -9.255 -0.828 -1.451 0.00 0.00 +0.005 A ATOM 41 C LIG 1 -6.404 1.843 0.168 0.00 0.00 +0.089 C ENDBRANCH 31 32 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 3 26 TORSDOF 9