REMARK Name = BDB063621 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.214 -2.150 -0.044 0.00 0.00 +0.018 A ATOM 2 C LIG 1 0.406 -0.950 -0.407 0.00 0.00 +0.121 A ATOM 3 N LIG 1 1.720 -0.806 -0.726 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 2.485 -1.922 -0.698 0.00 0.00 +0.125 A ATOM 5 C LIG 1 1.966 -3.174 -0.380 0.00 0.00 +0.033 A ATOM 6 C LIG 1 0.612 -3.283 -0.052 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.768 -2.083 1.240 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -4.379 -2.102 0.926 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -3.570 -3.125 1.458 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -2.200 -3.158 1.150 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -1.644 -2.188 0.317 0.00 0.00 +0.073 A ATOM 12 N LIG 1 -2.400 -1.194 -0.202 0.00 0.00 -0.254 NA ATOM 13 C LIG 1 -4.141 -4.101 2.292 0.00 0.00 +0.008 A ATOM 14 C LIG 1 -5.501 -4.074 2.598 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -3.721 -1.173 0.106 0.00 0.00 +0.120 A ATOM 16 C LIG 1 -6.311 -3.070 2.076 0.00 0.00 +0.011 A BRANCH 7 22 ATOM 17 C LIG 1 -11.225 -2.845 -3.221 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -10.016 -3.118 -2.362 0.00 0.00 +0.213 C ATOM 19 N LIG 1 -9.557 -2.086 -1.552 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -8.464 -2.441 -0.625 0.00 0.00 +0.146 C ATOM 21 C LIG 1 -7.824 -1.214 -0.077 0.00 0.00 +0.018 A ATOM 22 C LIG 1 -6.660 -1.049 0.718 0.00 0.00 +0.098 A ATOM 23 N LIG 1 -6.438 0.251 0.973 0.00 0.00 -0.170 NA ATOM 24 N LIG 1 -7.429 0.908 0.336 0.00 0.00 -0.264 N ATOM 25 C LIG 1 -8.299 0.063 -0.280 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -9.505 0.394 -1.075 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -10.360 -0.882 -1.236 0.00 0.00 +0.114 C ATOM 28 O LIG 1 -9.469 -4.221 -2.401 0.00 0.00 -0.276 OA BRANCH 24 29 ATOM 29 C LIG 1 -7.456 2.364 0.365 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -6.152 2.977 -0.152 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -6.245 4.500 -0.161 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -7.207 5.006 0.766 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -7.212 4.281 1.993 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -7.804 2.897 1.762 0.00 0.00 +0.055 C ENDBRANCH 24 29 ENDBRANCH 7 22 ENDBRANCH 1 11 BRANCH 4 35 ATOM 35 C LIG 1 3.948 -1.819 -1.013 0.00 0.00 +0.262 C ATOM 36 N LIG 1 4.588 -0.613 -1.179 0.00 0.00 -0.310 N ATOM 37 H LIG 1 5.567 -0.729 -1.408 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 4.622 -2.848 -1.113 0.00 0.00 -0.269 OA BRANCH 36 39 ATOM 39 C LIG 1 4.046 0.733 -1.151 0.00 0.00 +0.105 C BRANCH 39 40 ATOM 40 C LIG 1 5.141 1.801 -1.081 0.00 0.00 +0.023 C BRANCH 40 41 ATOM 41 C LIG 1 5.692 2.032 0.334 0.00 0.00 +0.037 C BRANCH 41 42 ATOM 42 C LIG 1 6.479 0.880 0.898 0.00 0.00 -0.042 A ATOM 43 C LIG 1 7.810 0.652 0.567 0.00 0.00 -0.015 A ATOM 44 C LIG 1 8.731 1.436 -0.314 0.00 0.00 +0.145 C ATOM 45 N LIG 1 9.969 0.669 -0.250 0.00 0.00 -0.282 N ATOM 46 C LIG 1 9.870 -0.419 0.602 0.00 0.00 +0.248 C ATOM 47 O LIG 1 10.754 -1.187 0.933 0.00 0.00 -0.270 OA ATOM 48 C LIG 1 8.489 -0.449 1.094 0.00 0.00 +0.042 A ATOM 49 C LIG 1 7.904 -1.358 1.955 0.00 0.00 +0.013 A ATOM 50 C LIG 1 6.571 -1.141 2.297 0.00 0.00 +0.001 A ATOM 51 C LIG 1 5.870 -0.036 1.779 0.00 0.00 +0.004 A BRANCH 45 52 ATOM 52 C LIG 1 11.255 1.154 -0.741 0.00 0.00 +0.163 C ATOM 53 C LIG 1 11.202 1.897 -2.086 0.00 0.00 +0.240 C ATOM 54 O LIG 1 10.255 1.853 -2.870 0.00 0.00 -0.273 OA ATOM 55 N LIG 1 12.325 2.628 -2.405 0.00 0.00 -0.255 N ATOM 56 H LIG 1 12.272 3.128 -3.284 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 13.258 3.111 -1.524 0.00 0.00 +0.219 C ATOM 58 O LIG 1 14.009 4.031 -1.839 0.00 0.00 -0.275 OA ATOM 59 C LIG 1 13.319 2.439 -0.174 0.00 0.00 +0.098 C ATOM 60 C LIG 1 11.929 2.048 0.302 0.00 0.00 +0.041 C ENDBRANCH 45 52 ENDBRANCH 41 42 ENDBRANCH 40 41 ENDBRANCH 39 40 ENDBRANCH 36 39 ENDBRANCH 4 35 TORSDOF 9