REMARK Name = BDB038948 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.148 0.484 -1.401 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.129 -0.408 -1.118 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.821 0.151 -0.794 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.693 -0.850 -0.799 0.00 0.00 +0.001 A ATOM 5 C LIG 1 2.918 -2.230 -1.019 0.00 0.00 -0.039 A ATOM 6 C LIG 1 1.848 -3.137 -1.041 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.532 -2.722 -0.819 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.328 -1.360 -0.577 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.802 -0.609 -0.319 0.00 0.00 -0.327 N ATOM 10 C LIG 1 -0.417 0.707 -0.165 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.888 0.822 -0.312 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 4.317 -2.722 -1.294 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.366 -0.437 -0.565 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.373 -1.786 -0.712 0.00 0.00 +0.116 C ATOM 15 O LIG 1 5.984 1.690 -1.544 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.339 1.864 0.112 0.00 0.00 +0.056 C ATOM 17 C LIG 1 -0.831 2.696 1.302 0.00 0.00 +0.026 C ATOM 18 C LIG 1 -1.736 3.909 1.567 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -1.856 4.775 0.309 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -2.352 3.963 -0.885 0.00 0.00 +0.001 C ATOM 21 C LIG 1 -1.476 2.740 -1.143 0.00 0.00 +0.011 C BRANCH 18 22 ATOM 22 C LIG 1 -1.217 4.731 2.736 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -0.121 4.603 3.256 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -2.119 5.635 3.186 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -2.964 5.638 2.700 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 18 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 8.438 0.767 -1.804 0.00 0.00 +0.282 C ATOM 27 O LIG 1 7.362 -0.124 -1.508 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -2.149 -1.149 -0.274 0.00 0.00 +0.131 C BRANCH 28 29 ATOM 29 C LIG 1 -2.494 -1.844 1.059 0.00 0.00 +0.036 C ATOM 30 C LIG 1 -2.579 -0.864 2.234 0.00 0.00 +0.014 C BRANCH 29 31 ATOM 31 C LIG 1 -3.784 -2.641 0.924 0.00 0.00 -0.040 A ATOM 32 C LIG 1 -3.750 -4.041 1.034 0.00 0.00 +0.045 A ATOM 33 C LIG 1 -4.921 -4.784 0.906 0.00 0.00 +0.159 A ATOM 34 F LIG 1 -4.865 -6.119 1.013 0.00 0.00 -0.202 F ATOM 35 C LIG 1 -6.133 -4.152 0.667 0.00 0.00 +0.158 A ATOM 36 F LIG 1 -7.257 -4.869 0.542 0.00 0.00 -0.202 F ATOM 37 C LIG 1 -6.190 -2.768 0.554 0.00 0.00 +0.041 A ATOM 38 C LIG 1 -5.020 -2.013 0.681 0.00 0.00 +0.007 A ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 7