REMARK Name = BDB059996 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.344 -1.988 -0.913 0.00 0.00 +0.158 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.831 -3.417 -1.068 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.417 -4.190 0.028 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.945 -5.492 -0.152 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.877 -6.040 -1.431 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.274 -5.285 -2.531 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.745 -3.982 -2.353 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -1.266 -0.930 -1.224 0.00 0.00 +0.204 C ATOM 9 O LIG 1 -1.484 -0.104 -2.121 0.00 0.00 -0.288 OA BRANCH 8 17 ATOM 10 C LIG 1 2.107 -1.887 2.294 0.00 0.00 +0.086 C ATOM 11 C LIG 1 1.432 -1.316 1.102 0.00 0.00 +0.112 A ATOM 12 N LIG 1 2.011 -0.369 0.279 0.00 0.00 -0.302 N ATOM 13 C LIG 1 1.085 -0.086 -0.712 0.00 0.00 +0.077 A ATOM 14 C LIG 1 1.451 0.875 -1.692 0.00 0.00 +0.029 A ATOM 15 C LIG 1 2.659 1.467 -1.622 0.00 0.00 +0.012 A ATOM 16 C LIG 1 3.635 1.163 -0.564 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -0.016 -0.884 -0.451 0.00 0.00 +0.134 A ATOM 18 C LIG 1 3.263 0.242 0.352 0.00 0.00 +0.101 A ATOM 19 N LIG 1 0.221 -1.630 0.688 0.00 0.00 -0.229 NA BRANCH 16 20 ATOM 20 C LIG 1 4.906 1.825 -0.527 0.00 0.00 +0.021 A ATOM 21 C LIG 1 6.074 1.346 0.031 0.00 0.00 +0.116 A ATOM 22 N LIG 1 7.019 2.309 -0.178 0.00 0.00 -0.274 N ATOM 23 C LIG 1 8.406 2.267 0.218 0.00 0.00 +0.172 C ATOM 24 N LIG 1 6.550 3.388 -0.828 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 5.264 3.092 -1.040 0.00 0.00 +0.143 A ENDBRANCH 16 20 ENDBRANCH 8 17 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.054 -1.756 0.379 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.720 -2.524 0.477 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.803 -0.492 0.399 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -3.047 0.620 1.139 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -3.820 1.918 1.124 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.706 2.791 0.033 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.430 3.985 0.005 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -5.278 4.316 1.066 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.399 3.446 2.154 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.675 2.252 2.182 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -6.022 5.541 1.038 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -6.626 6.532 1.017 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9