REMARK Name = BDB015157 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.874 0.505 0.618 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.775 1.046 -0.257 0.00 0.00 +0.121 A ATOM 3 C LIG 1 3.116 0.817 0.073 0.00 0.00 +0.054 A ATOM 4 C LIG 1 4.165 1.306 -0.725 0.00 0.00 -0.014 A ATOM 5 C LIG 1 3.829 2.037 -1.874 0.00 0.00 +0.009 A ATOM 6 C LIG 1 2.494 2.268 -2.212 0.00 0.00 +0.004 A ATOM 7 C LIG 1 1.468 1.773 -1.405 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 5.572 1.056 -0.366 0.00 0.00 -0.016 A ATOM 9 C LIG 1 6.027 -0.262 -0.156 0.00 0.00 +0.036 A ATOM 10 C LIG 1 7.375 -0.448 0.180 0.00 0.00 +0.069 A ATOM 11 C LIG 1 8.271 0.608 0.314 0.00 0.00 +0.089 A ATOM 12 N LIG 1 9.524 0.154 0.648 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 9.408 -1.153 0.718 0.00 0.00 +0.200 A ATOM 14 C LIG 1 7.822 1.918 0.108 0.00 0.00 +0.030 A ATOM 15 N LIG 1 8.134 -1.561 0.444 0.00 0.00 -0.333 N ATOM 16 C LIG 1 7.673 -2.926 0.434 0.00 0.00 +0.150 C ATOM 17 C LIG 1 6.476 2.125 -0.231 0.00 0.00 +0.011 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.518 0.749 0.359 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -1.313 0.086 1.493 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 -1.120 -1.333 1.472 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -0.159 -1.475 1.388 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -2.820 0.456 1.504 0.00 0.00 +0.119 C BRANCH 22 27 ATOM 23 C LIG 1 -8.038 0.571 1.584 0.00 0.00 +0.044 C ATOM 24 C LIG 1 -7.605 -0.228 0.384 0.00 0.00 -0.046 A ATOM 25 C LIG 1 -6.239 -0.435 0.083 0.00 0.00 -0.027 A ATOM 26 C LIG 1 -5.150 0.193 0.936 0.00 0.00 +0.120 C ATOM 27 N LIG 1 -3.788 -0.341 0.723 0.00 0.00 -0.295 NA ATOM 28 C LIG 1 -3.494 -0.440 -0.704 0.00 0.00 +0.089 C ATOM 29 C LIG 1 -4.445 -1.428 -1.390 0.00 0.00 +0.051 C ATOM 30 C LIG 1 -5.893 -1.178 -1.062 0.00 0.00 -0.042 A ATOM 31 C LIG 1 -6.892 -1.743 -1.865 0.00 0.00 +0.004 A ATOM 32 C LIG 1 -8.234 -1.553 -1.555 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -8.589 -0.801 -0.438 0.00 0.00 +0.004 A ENDBRANCH 22 27 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7