REMARK Name = BDB015223 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.329 0.646 -1.030 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.495 -0.064 -1.129 0.00 0.00 +0.121 A ATOM 3 C LIG 1 2.634 0.624 -0.696 0.00 0.00 +0.054 A ATOM 4 C LIG 1 3.910 0.035 -0.733 0.00 0.00 -0.012 A ATOM 5 C LIG 1 4.012 -1.276 -1.222 0.00 0.00 +0.009 A ATOM 6 C LIG 1 2.881 -1.969 -1.659 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.624 -1.363 -1.615 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 5.107 0.784 -0.290 0.00 0.00 +0.008 A ATOM 9 C LIG 1 5.945 0.306 0.741 0.00 0.00 +0.079 A ATOM 10 C LIG 1 7.071 1.087 1.101 0.00 0.00 +0.001 A ATOM 11 C LIG 1 7.911 0.629 2.125 0.00 0.00 +0.011 A ATOM 12 C LIG 1 7.633 -0.568 2.770 0.00 0.00 +0.020 A ATOM 13 C LIG 1 6.519 -1.270 2.365 0.00 0.00 +0.111 A ATOM 14 C LIG 1 7.346 2.300 0.451 0.00 0.00 +0.010 A ATOM 15 C LIG 1 6.517 2.760 -0.562 0.00 0.00 +0.001 A ATOM 16 N LIG 1 5.691 -0.861 1.381 0.00 0.00 -0.254 NA ATOM 17 C LIG 1 5.407 2.007 -0.929 0.00 0.00 +0.010 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.882 -0.043 -1.372 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -2.049 0.927 -1.128 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 -1.903 2.047 -2.015 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -1.000 2.386 -1.869 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -3.399 0.219 -1.385 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -4.589 1.038 -1.074 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -4.810 1.227 0.370 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -5.383 0.022 1.088 0.00 0.00 -0.030 A ATOM 26 C LIG 1 -6.109 -0.958 0.385 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -6.662 -2.044 1.077 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -6.514 -2.147 2.460 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -5.811 -1.169 3.161 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -6.239 -0.876 -1.116 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -5.252 -0.088 2.479 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.815 0.489 -1.678 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7