REMARK Name = BDB036286 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.035 1.056 -1.881 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -0.299 0.168 -2.896 0.00 0.00 -0.040 A ATOM 3 C LIG 1 -1.628 -0.032 -3.563 0.00 0.00 +0.036 C ATOM 4 C LIG 1 -1.422 -1.387 -4.254 0.00 0.00 +0.009 C ATOM 5 C LIG 1 0.074 -1.495 -4.571 0.00 0.00 +0.036 C ATOM 6 C LIG 1 0.664 -0.673 -3.466 0.00 0.00 -0.044 A ATOM 7 C LIG 1 1.976 -0.673 -3.022 0.00 0.00 +0.008 A ATOM 8 C LIG 1 2.339 0.186 -1.974 0.00 0.00 -0.039 A ATOM 9 C LIG 1 1.371 1.068 -1.443 0.00 0.00 +0.009 A ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -0.998 1.931 -1.209 0.00 0.00 +0.145 C BRANCH 10 22 ATOM 11 C LIG 1 -1.832 -0.321 1.789 0.00 0.00 +0.191 C ATOM 12 O LIG 1 -2.935 0.278 2.482 0.00 0.00 -0.470 OA ATOM 13 C LIG 1 -4.092 0.039 1.799 0.00 0.00 +0.242 A ATOM 14 C LIG 1 -4.419 0.713 0.644 0.00 0.00 +0.167 A ATOM 15 C LIG 1 -5.617 0.394 -0.001 0.00 0.00 +0.038 A ATOM 16 C LIG 1 -6.444 -0.595 0.535 0.00 0.00 -0.030 A ATOM 17 C LIG 1 -6.034 -1.202 1.716 0.00 0.00 +0.118 A ATOM 18 C LIG 1 -7.754 -0.941 -0.099 0.00 0.00 +0.045 C ATOM 19 S LIG 1 -3.362 1.956 0.012 0.00 0.00 +0.066 S ATOM 20 O LIG 1 -3.890 2.324 -1.288 0.00 0.00 -0.153 OA ATOM 21 O LIG 1 -3.158 2.968 1.024 0.00 0.00 -0.153 OA ATOM 22 N LIG 1 -1.870 1.162 -0.266 0.00 0.00 -0.169 NA ATOM 23 N LIG 1 -4.878 -0.911 2.354 0.00 0.00 -0.219 NA ATOM 24 C LIG 1 -1.114 0.765 0.976 0.00 0.00 +0.154 C BRANCH 11 26 ATOM 25 C LIG 1 -1.515 -2.014 3.661 0.00 0.00 +0.007 C ATOM 26 C LIG 1 -0.875 -0.898 2.847 0.00 0.00 +0.042 C ENDBRANCH 11 26 ENDBRANCH 10 22 ENDBRANCH 1 10 BRANCH 8 27 ATOM 27 C LIG 1 3.760 0.136 -1.403 0.00 0.00 +0.060 C BRANCH 27 28 ATOM 28 C LIG 1 3.740 0.042 0.142 0.00 0.00 -0.034 A ATOM 29 C LIG 1 3.388 -1.184 0.788 0.00 0.00 -0.017 A ATOM 30 C LIG 1 3.083 -2.441 0.019 0.00 0.00 +0.046 C ATOM 31 C LIG 1 3.296 -1.180 2.199 0.00 0.00 +0.116 A ATOM 32 N LIG 1 2.958 -2.190 3.066 0.00 0.00 -0.129 NA ATOM 33 N LIG 1 2.999 -1.712 4.301 0.00 0.00 -0.065 NA ATOM 34 N LIG 1 3.355 -0.418 4.219 0.00 0.00 -0.247 N ATOM 35 C LIG 1 3.484 0.360 5.422 0.00 0.00 +0.175 C ATOM 36 C LIG 1 3.556 -0.024 2.923 0.00 0.00 +0.089 A ATOM 37 C LIG 1 3.923 1.179 2.327 0.00 0.00 +0.030 A ATOM 38 C LIG 1 4.001 1.187 0.929 0.00 0.00 +0.007 A ENDBRANCH 27 28 BRANCH 27 39 ATOM 39 C LIG 1 4.606 1.294 -1.967 0.00 0.00 +0.133 C BRANCH 39 40 ATOM 40 C LIG 1 4.913 1.103 -3.427 0.00 0.00 +0.306 C ATOM 41 O LIG 1 5.088 0.048 -4.013 0.00 0.00 -0.251 OA BRANCH 40 42 ATOM 42 O LIG 1 5.050 2.276 -4.076 0.00 0.00 -0.481 OA ATOM 43 H LIG 1 5.254 2.018 -4.999 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 39 40 ENDBRANCH 27 39 ENDBRANCH 8 27 TORSDOF 8