REMARK Name = BDB046136 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.047 1.423 0.277 0.00 0.00 +0.022 C ATOM 2 C LIG 1 -2.386 1.552 0.409 0.00 0.00 -0.011 C ENDROOT BRANCH 2 3 ATOM 3 C LIG 1 -3.268 0.390 0.155 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -4.124 0.394 -0.950 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -4.969 -0.694 -1.193 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -4.983 -1.808 -0.338 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -4.124 -1.796 0.773 0.00 0.00 +0.009 A ATOM 8 C LIG 1 -3.279 -0.710 1.021 0.00 0.00 +0.009 A BRANCH 6 9 ATOM 9 C LIG 1 -5.873 -2.951 -0.596 0.00 0.00 -0.018 A ATOM 10 C LIG 1 -5.366 -4.259 -0.681 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -6.211 -5.345 -0.927 0.00 0.00 +0.001 A ATOM 12 C LIG 1 -7.579 -5.141 -1.090 0.00 0.00 +0.000 A ATOM 13 C LIG 1 -8.102 -3.854 -1.009 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -7.256 -2.768 -0.765 0.00 0.00 +0.008 A ENDBRANCH 6 9 ENDBRANCH 2 3 BRANCH 2 15 ATOM 15 C LIG 1 -2.917 2.878 0.825 0.00 0.00 -0.018 A ATOM 16 C LIG 1 -2.543 4.056 0.161 0.00 0.00 +0.008 A ATOM 17 C LIG 1 -3.066 5.292 0.551 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -3.975 5.362 1.604 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -4.366 4.199 2.265 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -3.843 2.964 1.875 0.00 0.00 +0.008 A ENDBRANCH 2 15 BRANCH 1 21 ATOM 21 C LIG 1 -0.281 0.214 -0.187 0.00 0.00 +0.257 C BRANCH 21 22 ATOM 22 O LIG 1 0.761 0.624 -1.077 0.00 0.00 -0.488 OA BRANCH 22 26 ATOM 23 C LIG 1 4.713 1.131 0.193 0.00 0.00 -0.044 A ATOM 24 C LIG 1 3.690 1.125 1.150 0.00 0.00 +0.007 A ATOM 25 C LIG 1 2.354 0.955 0.770 0.00 0.00 +0.046 A ATOM 26 C LIG 1 2.022 0.783 -0.573 0.00 0.00 +0.121 A ATOM 27 C LIG 1 3.037 0.805 -1.531 0.00 0.00 +0.046 A ATOM 28 C LIG 1 4.371 0.973 -1.155 0.00 0.00 +0.007 A BRANCH 23 29 ATOM 29 C LIG 1 6.157 1.313 0.611 0.00 0.00 +0.078 C BRANCH 29 30 ATOM 30 C LIG 1 7.046 0.064 0.464 0.00 0.00 +0.230 C BRANCH 30 31 ATOM 31 C LIG 1 6.434 -1.127 1.216 0.00 0.00 +0.334 C ATOM 32 O LIG 1 6.176 -2.236 0.773 0.00 0.00 -0.248 OA BRANCH 31 33 ATOM 33 O LIG 1 6.243 -0.877 2.531 0.00 0.00 -0.479 OA ATOM 34 H LIG 1 5.856 -1.715 2.863 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 O LIG 1 7.311 -0.140 -0.926 0.00 0.00 -0.365 OA BRANCH 35 37 ATOM 36 C LIG 1 8.582 -1.145 -2.673 0.00 0.00 +0.034 C ATOM 37 C LIG 1 8.396 -1.031 -1.172 0.00 0.00 +0.157 C ENDBRANCH 35 37 ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 23 29 ENDBRANCH 22 26 ENDBRANCH 21 22 ENDBRANCH 1 21 TORSDOF 12