REMARK Name = BDB028437 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.401 0.544 -2.615 0.00 0.00 -0.014 A ATOM 2 C LIG 1 -1.155 0.610 -1.973 0.00 0.00 +0.019 A ATOM 3 C LIG 1 -0.513 1.844 -1.806 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -1.105 3.002 -2.303 0.00 0.00 +0.050 A ATOM 5 C LIG 1 -0.408 4.289 -2.144 0.00 0.00 +0.272 A ATOM 6 N LIG 1 0.804 4.243 -1.500 0.00 0.00 -0.242 N ATOM 7 H LIG 1 1.297 5.124 -1.381 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 1.399 3.134 -0.982 0.00 0.00 -0.174 NA ATOM 9 O LIG 1 -0.889 5.333 -2.569 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 -2.342 2.944 -2.953 0.00 0.00 +0.014 A ATOM 11 C LIG 1 0.787 1.990 -1.109 0.00 0.00 +0.086 A ATOM 12 C LIG 1 -2.989 1.716 -3.105 0.00 0.00 +0.009 A ENDROOT BRANCH 1 16 ATOM 13 C LIG 1 -4.648 -3.812 -1.738 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -4.062 -2.649 -2.365 0.00 0.00 -0.266 N ATOM 15 C LIG 1 -3.398 -1.609 -1.747 0.00 0.00 +0.078 A ATOM 16 C LIG 1 -3.083 -0.726 -2.773 0.00 0.00 +0.027 A ATOM 17 C LIG 1 -3.597 -1.327 -3.941 0.00 0.00 +0.143 A ATOM 18 N LIG 1 -4.172 -2.504 -3.698 0.00 0.00 -0.179 NA BRANCH 15 19 ATOM 19 C LIG 1 -3.167 -1.528 -0.301 0.00 0.00 +0.019 A ATOM 20 C LIG 1 -3.859 -0.616 0.520 0.00 0.00 +0.061 A ATOM 21 C LIG 1 -3.577 -0.563 1.894 0.00 0.00 +0.021 A ATOM 22 C LIG 1 -2.616 -1.409 2.452 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -1.933 -2.309 1.639 0.00 0.00 +0.042 A ATOM 24 CL LIG 1 -0.752 -3.353 2.325 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 -2.201 -2.372 0.272 0.00 0.00 +0.031 A BRANCH 20 26 ATOM 26 C LIG 1 -4.862 0.268 -0.006 0.00 0.00 +0.100 C ATOM 27 N LIG 1 -5.675 0.993 -0.406 0.00 0.00 -0.191 NA ENDBRANCH 20 26 ENDBRANCH 15 19 ENDBRANCH 1 16 BRANCH 11 28 ATOM 28 C LIG 1 1.437 0.741 -0.515 0.00 0.00 +0.165 C BRANCH 28 29 ATOM 29 N LIG 1 2.603 1.078 0.260 0.00 0.00 -0.275 N ATOM 30 H LIG 1 2.974 2.020 0.212 0.00 0.00 +0.152 HD ATOM 31 C LIG 1 3.271 0.161 1.004 0.00 0.00 +0.401 C ATOM 32 O LIG 1 2.939 -1.009 1.112 0.00 0.00 -0.226 OA BRANCH 31 33 ATOM 33 O LIG 1 4.334 0.754 1.589 0.00 0.00 -0.445 OA BRANCH 33 34 ATOM 34 C LIG 1 5.219 0.001 2.456 0.00 0.00 +0.107 C ATOM 35 C LIG 1 6.282 1.015 2.905 0.00 0.00 +0.055 C ATOM 36 C LIG 1 5.915 -1.132 1.694 0.00 0.00 +0.055 C ATOM 37 C LIG 1 4.477 -0.512 3.695 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 28 29 ENDBRANCH 11 28 TORSDOF 7