REMARK Name = BDB026962 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.966 -1.650 0.768 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.913 -3.032 0.127 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -1.360 -3.251 -1.145 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.336 -4.533 -1.700 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.875 -5.609 -0.998 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.445 -5.405 0.256 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -2.469 -4.126 0.813 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 -0.820 -0.683 0.348 0.00 0.00 +0.186 C ATOM 9 O LIG 1 -1.060 0.361 -0.266 0.00 0.00 -0.290 OA BRANCH 8 14 ATOM 10 C LIG 1 4.402 0.684 0.106 0.00 0.00 -0.013 A ATOM 11 C LIG 1 4.164 -0.498 0.826 0.00 0.00 +0.034 A ATOM 12 C LIG 1 2.841 -0.945 0.958 0.00 0.00 +0.048 A ATOM 13 C LIG 1 1.753 -0.273 0.401 0.00 0.00 +0.010 A ATOM 14 C LIG 1 0.565 -1.013 0.730 0.00 0.00 +0.044 A ATOM 15 C LIG 1 0.982 -2.098 1.483 0.00 0.00 +0.095 A ATOM 16 C LIG 1 2.009 0.909 -0.324 0.00 0.00 +0.011 A ATOM 17 N LIG 1 2.345 -2.049 1.607 0.00 0.00 -0.360 N ATOM 18 H LIG 1 2.911 -2.725 2.103 0.00 0.00 +0.165 HD ATOM 19 C LIG 1 3.325 1.373 -0.462 0.00 0.00 +0.009 A BRANCH 10 24 ATOM 20 C LIG 1 8.339 3.672 -0.389 0.00 0.00 +0.172 C ATOM 21 N LIG 1 7.491 2.513 -0.259 0.00 0.00 -0.274 N ATOM 22 N LIG 1 8.046 1.288 -0.230 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 6.994 0.474 -0.101 0.00 0.00 +0.142 A ATOM 24 C LIG 1 5.763 1.171 -0.047 0.00 0.00 +0.020 A ATOM 25 C LIG 1 6.131 2.497 -0.151 0.00 0.00 +0.116 A ENDBRANCH 10 24 ENDBRANCH 8 14 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -3.308 -1.005 0.659 0.00 0.00 -0.303 NA ATOM 27 H LIG 1 -3.199 -0.044 0.994 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.833 -0.939 -0.713 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -5.100 -0.065 -0.795 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.903 1.385 -0.406 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -3.961 2.187 -1.064 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.785 3.524 -0.697 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.558 4.078 0.327 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -5.506 3.288 0.982 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -5.678 1.950 0.616 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.378 5.449 0.704 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -4.235 6.560 1.010 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9