REMARK Name = BDB045391 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.149 -0.498 2.627 0.00 0.00 +0.121 A ATOM 2 C LIG 1 3.038 -0.217 1.271 0.00 0.00 +0.046 A ATOM 3 C LIG 1 1.853 -0.505 0.589 0.00 0.00 +0.007 A ATOM 4 C LIG 1 0.750 -1.091 1.236 0.00 0.00 -0.042 A ATOM 5 C LIG 1 0.875 -1.363 2.603 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.062 -1.075 3.284 0.00 0.00 +0.046 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -0.508 -1.371 0.412 0.00 0.00 +0.050 C ATOM 8 C LIG 1 -1.806 -1.694 1.200 0.00 0.00 +0.140 C ATOM 9 C LIG 1 -1.897 -3.184 1.598 0.00 0.00 +0.113 C ATOM 10 N LIG 1 -1.685 -4.101 0.472 0.00 0.00 -0.313 NA ATOM 11 H LIG 1 -2.407 -3.891 -0.220 0.00 0.00 +0.122 HD ATOM 12 C LIG 1 -0.375 -3.863 -0.132 0.00 0.00 +0.081 C ATOM 13 C LIG 1 -0.263 -2.443 -0.675 0.00 0.00 +0.026 C BRANCH 8 14 ATOM 14 O LIG 1 -2.952 -1.412 0.362 0.00 0.00 -0.370 OA BRANCH 14 15 ATOM 15 C LIG 1 -3.465 -0.093 0.569 0.00 0.00 +0.195 C BRANCH 15 16 ATOM 16 C LIG 1 -4.650 0.135 -0.331 0.00 0.00 -0.021 A ATOM 17 C LIG 1 -4.548 -0.070 -1.717 0.00 0.00 +0.014 A ATOM 18 C LIG 1 -5.638 0.170 -2.572 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -6.860 0.626 -2.026 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -7.950 0.869 -2.880 0.00 0.00 +0.008 A ATOM 21 C LIG 1 -7.838 0.661 -4.258 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -6.636 0.210 -4.799 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -6.958 0.828 -0.641 0.00 0.00 +0.009 A ATOM 24 C LIG 1 -5.542 -0.033 -3.961 0.00 0.00 +0.008 A ATOM 25 C LIG 1 -5.863 0.591 0.197 0.00 0.00 +0.006 A ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 O LIG 1 4.237 -0.266 3.417 0.00 0.00 -0.490 OA BRANCH 26 27 ATOM 27 C LIG 1 5.342 0.464 2.875 0.00 0.00 +0.247 C BRANCH 27 28 ATOM 28 C LIG 1 5.071 1.970 2.902 0.00 0.00 +0.145 C BRANCH 28 31 ATOM 29 O LIG 1 7.559 3.896 1.071 0.00 0.00 -0.270 OA ATOM 30 C LIG 1 6.595 3.159 1.248 0.00 0.00 +0.244 C ATOM 31 N LIG 1 6.213 2.777 2.507 0.00 0.00 -0.308 N ATOM 32 H LIG 1 6.830 3.112 3.231 0.00 0.00 +0.149 HD BRANCH 30 33 ATOM 33 C LIG 1 5.823 2.676 0.093 0.00 0.00 +0.037 A ATOM 34 C LIG 1 4.644 3.327 -0.282 0.00 0.00 +0.013 A ATOM 35 C LIG 1 3.925 2.862 -1.379 0.00 0.00 +0.001 A ATOM 36 C LIG 1 4.394 1.761 -2.100 0.00 0.00 +0.000 A ATOM 37 C LIG 1 5.587 1.131 -1.736 0.00 0.00 +0.001 A ATOM 38 C LIG 1 6.314 1.595 -0.640 0.00 0.00 +0.013 A ENDBRANCH 30 33 ENDBRANCH 28 31 ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 9