REMARK Name = BDB053268 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.401 0.781 1.779 0.00 0.00 +0.092 A ATOM 2 C LIG 1 1.531 0.422 1.001 0.00 0.00 +0.045 A ATOM 3 C LIG 1 2.604 0.864 1.755 0.00 0.00 +0.171 A ATOM 4 C LIG 1 3.937 0.728 1.381 0.00 0.00 +0.095 A ATOM 5 C LIG 1 4.166 0.069 0.170 0.00 0.00 +0.126 A ATOM 6 C LIG 1 3.113 -0.355 -0.643 0.00 0.00 +0.046 A ATOM 7 O LIG 1 2.144 1.447 2.894 0.00 0.00 -0.354 OA ATOM 8 C LIG 1 1.780 -0.198 -0.235 0.00 0.00 +0.017 A ATOM 9 N LIG 1 0.759 1.396 2.915 0.00 0.00 -0.082 NA ENDROOT BRANCH 1 10 ATOM 10 C LIG 1 -1.039 0.569 1.467 0.00 0.00 +0.066 C BRANCH 10 11 ATOM 11 C LIG 1 -1.645 1.768 0.741 0.00 0.00 +0.065 C BRANCH 11 14 ATOM 12 C LIG 1 -4.482 2.860 2.187 0.00 0.00 +0.088 C ATOM 13 C LIG 1 -4.212 2.005 1.019 0.00 0.00 +0.126 A ATOM 14 C LIG 1 -3.072 1.539 0.399 0.00 0.00 +0.083 A ATOM 15 N LIG 1 -3.421 0.750 -0.674 0.00 0.00 -0.214 NA ATOM 16 C LIG 1 -4.742 0.766 -0.675 0.00 0.00 +0.228 A ATOM 17 O LIG 1 -5.289 1.513 0.338 0.00 0.00 -0.440 OA BRANCH 16 18 ATOM 18 C LIG 1 -5.673 0.108 -1.587 0.00 0.00 +0.037 A ATOM 19 C LIG 1 -7.064 0.214 -1.435 0.00 0.00 +0.013 A ATOM 20 C LIG 1 -7.931 -0.427 -2.324 0.00 0.00 +0.001 A ATOM 21 C LIG 1 -7.419 -1.183 -3.376 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -6.041 -1.299 -3.542 0.00 0.00 +0.001 A ATOM 23 C LIG 1 -5.175 -0.657 -2.653 0.00 0.00 +0.013 A ENDBRANCH 16 18 ENDBRANCH 11 14 ENDBRANCH 10 11 ENDBRANCH 1 10 BRANCH 5 24 ATOM 24 O LIG 1 5.454 -0.043 -0.275 0.00 0.00 -0.475 OA BRANCH 24 25 ATOM 25 C LIG 1 6.136 -1.283 0.025 0.00 0.00 +0.200 C ATOM 26 C LIG 1 5.678 -2.402 -0.919 0.00 0.00 +0.067 C ATOM 27 C LIG 1 6.037 -1.738 1.489 0.00 0.00 +0.067 C BRANCH 25 28 ATOM 28 C LIG 1 7.615 -0.981 -0.258 0.00 0.00 +0.348 C ATOM 29 O LIG 1 8.366 -1.603 -0.995 0.00 0.00 -0.247 OA BRANCH 28 30 ATOM 30 O LIG 1 8.091 0.088 0.421 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 9.017 0.172 0.114 0.00 0.00 +0.295 HD ENDBRANCH 28 30 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 8