REMARK Name = BDB053561 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.731 -1.653 -1.025 0.00 0.00 +0.125 A ATOM 2 C LIG 1 -1.505 -2.708 -0.138 0.00 0.00 -0.005 A ATOM 3 C LIG 1 -2.264 -2.749 1.035 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -3.222 -1.763 1.311 0.00 0.00 +0.024 A ATOM 5 C LIG 1 -3.467 -0.704 0.424 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -2.708 -0.682 -0.756 0.00 0.00 +0.070 A ENDROOT BRANCH 5 7 ATOM 7 N LIG 1 -4.449 0.299 0.704 0.00 0.00 -0.202 N ATOM 8 C LIG 1 -5.321 0.280 1.777 0.00 0.00 +0.258 C ATOM 9 O LIG 1 -5.484 -0.515 2.686 0.00 0.00 -0.269 OA ATOM 10 C LIG 1 -6.147 1.478 1.685 0.00 0.00 +0.050 A ATOM 11 C LIG 1 -5.745 2.181 0.573 0.00 0.00 +0.050 A ATOM 12 C LIG 1 -6.339 3.376 0.209 0.00 0.00 +0.014 A ATOM 13 C LIG 1 -7.375 3.851 1.018 0.00 0.00 +0.001 A ATOM 14 C LIG 1 -7.788 3.131 2.157 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -7.169 1.926 2.503 0.00 0.00 +0.014 A ATOM 16 C LIG 1 -4.656 1.439 -0.051 0.00 0.00 +0.258 C ATOM 17 O LIG 1 -4.101 1.876 -1.044 0.00 0.00 -0.269 OA ENDBRANCH 5 7 BRANCH 1 18 ATOM 18 O LIG 1 -1.048 -1.626 -2.213 0.00 0.00 -0.492 OA BRANCH 18 20 ATOM 19 C LIG 1 -0.594 0.266 -3.622 0.00 0.00 +0.048 C ATOM 20 C LIG 1 -0.214 -0.468 -2.350 0.00 0.00 +0.225 C ENDBRANCH 18 20 ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 -0.472 -3.780 -0.403 0.00 0.00 +0.043 C BRANCH 21 22 ATOM 22 C LIG 1 0.740 -3.724 0.539 0.00 0.00 +0.040 C BRANCH 22 23 ATOM 23 C LIG 1 1.649 -2.542 0.296 0.00 0.00 -0.047 A ATOM 24 C LIG 1 2.661 -2.612 -0.668 0.00 0.00 +0.004 A ATOM 25 C LIG 1 3.494 -1.516 -0.902 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.326 -0.328 -0.181 0.00 0.00 -0.047 A ATOM 27 C LIG 1 2.314 -0.258 0.783 0.00 0.00 +0.004 A ATOM 28 C LIG 1 1.482 -1.355 1.019 0.00 0.00 +0.004 A BRANCH 26 29 ATOM 29 C LIG 1 4.237 0.855 -0.424 0.00 0.00 +0.049 C BRANCH 29 30 ATOM 30 C LIG 1 5.390 0.931 0.589 0.00 0.00 +0.102 C BRANCH 30 31 ATOM 31 C LIG 1 6.438 -0.122 0.300 0.00 0.00 +0.308 C ATOM 32 O LIG 1 6.752 -0.573 -0.789 0.00 0.00 -0.251 OA BRANCH 31 33 ATOM 33 O LIG 1 7.078 -0.528 1.415 0.00 0.00 -0.480 OA ATOM 34 H LIG 1 7.714 -1.200 1.091 0.00 0.00 +0.295 HD ENDBRANCH 31 33 ENDBRANCH 30 31 BRANCH 30 35 ATOM 35 C LIG 1 6.049 2.320 0.640 0.00 0.00 +0.011 C ATOM 36 C LIG 1 6.569 2.836 -0.696 0.00 0.00 +0.004 C ENDBRANCH 30 35 ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 22 23 ENDBRANCH 21 22 ENDBRANCH 2 21 TORSDOF 11