REMARK Name = BDB026934 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.468 -0.404 0.183 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.332 -1.855 0.628 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.655 -2.939 -0.204 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.517 -4.253 0.251 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.074 -4.503 1.547 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.779 -3.441 2.397 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.915 -2.128 1.944 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -2.774 0.114 0.669 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -3.501 -0.298 0.075 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.869 1.577 0.593 0.00 0.00 +0.089 C BRANCH 10 12 ATOM 11 C LIG 1 -4.299 3.615 1.032 0.00 0.00 +0.014 C ATOM 12 C LIG 1 -4.270 2.082 1.024 0.00 0.00 +0.030 C BRANCH 12 13 ATOM 13 C LIG 1 -5.407 1.542 0.166 0.00 0.00 -0.043 A ATOM 14 C LIG 1 -6.489 0.892 0.780 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -7.543 0.383 0.017 0.00 0.00 +0.019 A ATOM 16 C LIG 1 -7.531 0.517 -1.373 0.00 0.00 +0.052 A ATOM 17 C LIG 1 -6.461 1.164 -1.996 0.00 0.00 +0.019 A ATOM 18 C LIG 1 -5.408 1.676 -1.231 0.00 0.00 +0.005 A BRANCH 16 19 ATOM 19 C LIG 1 -8.611 -0.007 -2.157 0.00 0.00 +0.099 C ATOM 20 N LIG 1 -9.488 -0.430 -2.789 0.00 0.00 -0.191 NA ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 10 12 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 21 ATOM 21 C LIG 1 -1.339 -0.225 -1.351 0.00 0.00 +0.188 C ATOM 22 O LIG 1 -2.354 -0.181 -2.057 0.00 0.00 -0.290 OA BRANCH 21 23 ATOM 23 C LIG 1 -0.031 -0.083 -1.987 0.00 0.00 +0.064 A ATOM 24 C LIG 1 1.265 -0.242 -1.520 0.00 0.00 +0.077 A ATOM 25 N LIG 1 2.123 0.047 -2.599 0.00 0.00 -0.238 N ATOM 26 C LIG 1 3.511 0.012 -2.489 0.00 0.00 +0.126 A ATOM 27 C LIG 1 4.090 -0.305 -1.319 0.00 0.00 +0.055 A ATOM 28 C LIG 1 3.233 -0.658 -0.197 0.00 0.00 +0.016 A ATOM 29 N LIG 1 1.421 0.367 -3.709 0.00 0.00 -0.174 NA ATOM 30 C LIG 1 1.890 -0.625 -0.293 0.00 0.00 +0.029 A ATOM 31 C LIG 1 0.147 0.273 -3.344 0.00 0.00 +0.146 A BRANCH 27 32 ATOM 32 C LIG 1 5.580 -0.334 -1.258 0.00 0.00 +0.246 C ATOM 33 N LIG 1 6.105 0.010 -0.037 0.00 0.00 -0.309 N ATOM 34 H LIG 1 5.510 0.457 0.651 0.00 0.00 +0.149 HD ATOM 35 O LIG 1 6.266 -0.600 -2.239 0.00 0.00 -0.270 OA BRANCH 33 36 ATOM 36 C LIG 1 7.534 0.191 0.140 0.00 0.00 +0.135 C BRANCH 36 37 ATOM 37 C LIG 1 7.885 0.307 1.627 0.00 0.00 +0.128 C ATOM 38 C LIG 1 9.373 0.529 1.843 0.00 0.00 +0.039 C BRANCH 37 39 ATOM 39 O LIG 1 7.151 1.396 2.203 0.00 0.00 -0.391 OA ATOM 40 H LIG 1 7.517 2.223 1.840 0.00 0.00 +0.210 HD ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 33 36 ENDBRANCH 27 32 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 12