REMARK Name = BDB055680 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.107 -1.551 2.181 0.00 0.00 +0.120 C ATOM 2 C LIG 1 -1.065 -1.435 1.246 0.00 0.00 -0.021 A ATOM 3 C LIG 1 -1.913 -0.402 1.662 0.00 0.00 -0.042 A ATOM 4 C LIG 1 -3.041 -0.069 0.933 0.00 0.00 +0.012 A ATOM 5 C LIG 1 -3.323 -0.781 -0.246 0.00 0.00 -0.017 A ATOM 6 C LIG 1 -2.495 -1.863 -0.619 0.00 0.00 +0.009 A ATOM 7 C LIG 1 -1.427 0.230 2.929 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -1.363 -2.196 0.127 0.00 0.00 +0.006 A ATOM 9 C LIG 1 0.035 -0.237 2.986 0.00 0.00 +0.034 C ENDROOT BRANCH 1 11 ATOM 10 C LIG 1 2.253 -2.826 1.798 0.00 0.00 +0.111 A ATOM 11 N LIG 1 1.380 -1.776 1.514 0.00 0.00 -0.316 N ATOM 12 C LIG 1 1.968 -1.019 0.521 0.00 0.00 +0.135 A ATOM 13 C LIG 1 3.154 -1.663 0.279 0.00 0.00 +0.096 A ATOM 14 C LIG 1 4.060 -1.165 -0.680 0.00 0.00 +0.048 A ATOM 15 C LIG 1 3.741 -0.043 -1.349 0.00 0.00 +0.092 A ATOM 16 N LIG 1 2.532 0.627 -1.128 0.00 0.00 -0.308 N ATOM 17 C LIG 1 1.572 0.182 -0.189 0.00 0.00 +0.277 A ATOM 18 O LIG 1 0.496 0.754 -0.018 0.00 0.00 -0.265 OA ATOM 19 N LIG 1 3.336 -2.763 1.041 0.00 0.00 -0.232 NA BRANCH 10 21 ATOM 20 C LIG 1 3.108 -4.893 2.951 0.00 0.00 +0.012 C ATOM 21 C LIG 1 1.981 -3.877 2.831 0.00 0.00 +0.071 C ENDBRANCH 10 21 BRANCH 16 22 ATOM 22 C LIG 1 2.276 1.878 -1.845 0.00 0.00 +0.180 C BRANCH 22 23 ATOM 23 C LIG 1 3.010 3.092 -1.294 0.00 0.00 +0.061 A ATOM 24 N LIG 1 3.741 2.970 -0.153 0.00 0.00 -0.258 NA ATOM 25 C LIG 1 4.373 4.071 0.306 0.00 0.00 +0.111 A ATOM 26 C LIG 1 4.320 5.308 -0.319 0.00 0.00 +0.020 A ATOM 27 C LIG 1 3.567 5.425 -1.481 0.00 0.00 +0.003 A ATOM 28 C LIG 1 2.901 4.307 -1.977 0.00 0.00 +0.025 A ENDBRANCH 22 23 ENDBRANCH 16 22 ENDBRANCH 1 11 BRANCH 5 29 ATOM 29 C LIG 1 -4.444 -0.372 -1.099 0.00 0.00 -0.007 A ATOM 30 C LIG 1 -4.276 0.289 -2.341 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -5.431 0.614 -3.085 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.713 0.312 -2.624 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.873 -0.328 -1.404 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -5.750 -0.666 -0.650 0.00 0.00 +0.009 A BRANCH 30 35 ATOM 35 C LIG 1 -2.981 0.659 -2.935 0.00 0.00 +0.180 A ATOM 36 N LIG 1 -1.775 0.824 -2.296 0.00 0.00 -0.239 N ATOM 37 H LIG 1 -1.522 0.726 -1.317 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 -0.826 1.175 -3.180 0.00 0.00 -0.046 NA ATOM 39 N LIG 1 -1.441 1.236 -4.347 0.00 0.00 -0.023 NA ATOM 40 N LIG 1 -2.769 0.934 -4.214 0.00 0.00 -0.108 NA ENDBRANCH 30 35 ENDBRANCH 5 29 TORSDOF 6