REMARK Name = BDB024329 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.418 -0.234 -1.095 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.757 1.221 -0.805 0.00 0.00 -0.022 A ATOM 3 C LIG 1 2.316 1.884 0.352 0.00 0.00 +0.005 A ATOM 4 C LIG 1 2.658 3.218 0.583 0.00 0.00 +0.000 A ATOM 5 C LIG 1 3.452 3.905 -0.333 0.00 0.00 +0.000 A ATOM 6 C LIG 1 3.911 3.259 -1.477 0.00 0.00 +0.000 A ATOM 7 C LIG 1 3.570 1.926 -1.710 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 -0.011 0.101 -0.988 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.197 0.948 -1.503 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 1.026 -0.715 -0.584 0.00 0.00 +0.240 C ATOM 11 O LIG 1 0.895 -1.756 0.059 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 -4.149 -0.089 -0.368 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -3.455 0.908 -1.065 0.00 0.00 +0.136 A ATOM 14 N LIG 1 -2.111 0.963 -1.256 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 -1.375 -0.039 -0.744 0.00 0.00 +0.125 A ATOM 16 C LIG 1 -1.947 -1.091 -0.052 0.00 0.00 +0.045 A ATOM 17 C LIG 1 -3.337 -1.111 0.129 0.00 0.00 +0.028 A BRANCH 12 22 ATOM 18 N LIG 1 -8.298 0.081 0.627 0.00 0.00 -0.299 N ATOM 19 C LIG 1 -7.598 1.282 0.552 0.00 0.00 +0.233 C ATOM 20 O LIG 1 -8.144 2.368 0.773 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 -6.085 1.240 0.252 0.00 0.00 +0.201 C ATOM 22 N LIG 1 -5.544 -0.063 -0.224 0.00 0.00 -0.318 N ATOM 23 C LIG 1 -6.216 -1.237 0.341 0.00 0.00 +0.124 C ATOM 24 C LIG 1 -7.716 -1.131 0.067 0.00 0.00 +0.126 C BRANCH 18 26 ATOM 25 C LIG 1 -10.503 0.327 -0.483 0.00 0.00 +0.024 C ATOM 26 C LIG 1 -9.745 0.119 0.819 0.00 0.00 +0.104 C ENDBRANCH 18 26 ENDBRANCH 12 22 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 27 ATOM 27 N LIG 1 3.497 -1.188 -0.725 0.00 0.00 -0.301 NA ATOM 28 H LIG 1 3.124 -2.119 -0.928 0.00 0.00 +0.123 HD BRANCH 27 29 ATOM 29 C LIG 1 3.871 -1.181 0.700 0.00 0.00 +0.089 C BRANCH 29 30 ATOM 30 C LIG 1 5.167 -0.387 1.002 0.00 0.00 +0.030 C ATOM 31 C LIG 1 5.434 -0.373 2.513 0.00 0.00 +0.014 C BRANCH 30 32 ATOM 32 C LIG 1 6.382 -0.907 0.245 0.00 0.00 -0.043 A ATOM 33 C LIG 1 7.022 -0.076 -0.688 0.00 0.00 +0.005 A ATOM 34 C LIG 1 8.137 -0.526 -1.400 0.00 0.00 +0.019 A ATOM 35 C LIG 1 8.628 -1.817 -1.188 0.00 0.00 +0.052 A ATOM 36 C LIG 1 7.999 -2.654 -0.262 0.00 0.00 +0.019 A ATOM 37 C LIG 1 6.884 -2.202 0.449 0.00 0.00 +0.005 A BRANCH 35 38 ATOM 38 C LIG 1 9.770 -2.281 -1.919 0.00 0.00 +0.099 C ATOM 39 N LIG 1 10.696 -2.657 -2.510 0.00 0.00 -0.191 NA ENDBRANCH 35 38 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 1 27 TORSDOF 10