REMARK Name = BDB004906 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.687 0.201 -1.173 0.00 0.00 +0.104 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 3.100 -0.064 -0.511 0.00 0.00 +0.034 A ATOM 3 C LIG 1 1.715 -0.113 -0.326 0.00 0.00 +0.028 A ATOM 4 C LIG 1 0.826 0.268 -1.349 0.00 0.00 -0.025 A ATOM 5 C LIG 1 1.359 0.749 -2.551 0.00 0.00 +0.005 A ATOM 6 C LIG 1 2.738 0.817 -2.742 0.00 0.00 +0.002 A ATOM 7 C LIG 1 3.603 0.408 -1.728 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 3.776 -1.036 1.694 0.00 0.00 +0.248 C ATOM 9 N LIG 1 4.038 -0.459 0.465 0.00 0.00 -0.281 N ATOM 10 H LIG 1 5.009 -0.385 0.191 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 2.679 -1.353 2.138 0.00 0.00 -0.270 OA BRANCH 8 15 ATOM 12 C LIG 1 7.199 -1.919 4.144 0.00 0.00 +0.120 A ATOM 13 C LIG 1 7.199 -0.773 3.346 0.00 0.00 +0.046 A ATOM 14 C LIG 1 6.091 -0.471 2.542 0.00 0.00 +0.016 A ATOM 15 C LIG 1 4.979 -1.322 2.527 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.972 -2.461 3.340 0.00 0.00 +0.016 A ATOM 17 C LIG 1 6.080 -2.756 4.138 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 9.390 -1.534 4.975 0.00 0.00 +0.277 C ATOM 19 O LIG 1 8.210 -2.324 4.970 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 8 15 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 20 ATOM 20 N LIG 1 -1.128 1.316 -0.324 0.00 0.00 -0.322 N ATOM 21 H LIG 1 -0.444 1.534 0.396 0.00 0.00 +0.148 HD BRANCH 20 22 ATOM 22 C LIG 1 -1.546 2.505 -0.951 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -2.086 3.545 -0.166 0.00 0.00 +0.041 A ATOM 24 C LIG 1 -2.512 4.699 -0.852 0.00 0.00 +0.088 A ATOM 25 C LIG 1 -3.081 5.738 -0.089 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -3.229 5.631 1.306 0.00 0.00 +0.015 A ATOM 27 C LIG 1 -2.801 4.495 1.974 0.00 0.00 +0.002 A ATOM 28 N LIG 1 -2.392 4.784 -2.196 0.00 0.00 -0.235 NA ATOM 29 C LIG 1 -1.882 3.731 -2.841 0.00 0.00 +0.223 A ATOM 30 C LIG 1 -2.239 3.459 1.242 0.00 0.00 +0.013 A ATOM 31 N LIG 1 -1.462 2.596 -2.286 0.00 0.00 -0.220 NA BRANCH 25 32 ATOM 32 C LIG 1 -3.595 7.004 -0.696 0.00 0.00 +0.244 C ATOM 33 O LIG 1 -4.351 7.756 -0.085 0.00 0.00 -0.270 OA ATOM 34 N LIG 1 -3.209 7.312 -1.966 0.00 0.00 -0.325 N ATOM 35 H LIG 1 -3.715 8.054 -2.425 0.00 0.00 +0.145 HD ATOM 36 H LIG 1 -2.795 6.584 -2.545 0.00 0.00 +0.145 HD ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 BRANCH 1 37 ATOM 37 C LIG 1 -1.187 -1.104 -0.515 0.00 0.00 +0.046 C BRANCH 37 38 ATOM 38 C LIG 1 -0.891 -2.373 -1.323 0.00 0.00 +0.113 C BRANCH 38 39 ATOM 39 N LIG 1 -1.638 -2.467 -2.578 0.00 0.00 -0.270 N ATOM 40 C LIG 1 -2.985 -2.800 -2.626 0.00 0.00 +0.403 C ATOM 41 O LIG 1 -3.614 -2.940 -3.667 0.00 0.00 -0.226 OA ATOM 42 C LIG 1 -0.892 -2.361 -3.819 0.00 0.00 +0.135 C BRANCH 40 43 ATOM 43 O LIG 1 -3.515 -2.947 -1.385 0.00 0.00 -0.445 OA BRANCH 43 44 ATOM 44 C LIG 1 -4.922 -3.243 -1.195 0.00 0.00 +0.107 C ATOM 45 C LIG 1 -5.808 -2.125 -1.753 0.00 0.00 +0.055 C ATOM 46 C LIG 1 -5.102 -3.292 0.331 0.00 0.00 +0.055 C ATOM 47 C LIG 1 -5.287 -4.611 -1.777 0.00 0.00 +0.055 C ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 1 37 TORSDOF 12