REMARK Name = BDB057775 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.982 -2.067 2.712 0.00 0.00 +0.002 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.698 -2.100 1.885 0.00 0.00 +0.009 C BRANCH 2 3 ATOM 3 C LIG 1 0.176 -0.880 2.177 0.00 0.00 +0.096 C BRANCH 3 6 ATOM 4 N LIG 1 2.231 0.235 1.630 0.00 0.00 -0.285 N ATOM 5 H LIG 1 1.954 0.781 2.436 0.00 0.00 +0.155 HD ATOM 6 C LIG 1 1.393 -0.807 1.266 0.00 0.00 +0.217 C ATOM 7 O LIG 1 1.551 -1.580 0.329 0.00 0.00 -0.275 OA BRANCH 4 11 ATOM 8 C LIG 1 5.881 1.544 -0.120 0.00 0.00 -0.043 A ATOM 9 C LIG 1 5.190 0.447 -0.655 0.00 0.00 +0.006 A ATOM 10 C LIG 1 3.985 -0.007 -0.102 0.00 0.00 +0.023 A ATOM 11 C LIG 1 3.438 0.624 1.012 0.00 0.00 +0.033 A ATOM 12 C LIG 1 4.118 1.713 1.564 0.00 0.00 +0.023 A ATOM 13 C LIG 1 5.322 2.162 1.007 0.00 0.00 +0.006 A BRANCH 8 15 ATOM 14 C LIG 1 7.357 3.462 -1.126 0.00 0.00 +0.059 C ATOM 15 C LIG 1 7.188 2.015 -0.713 0.00 0.00 +0.037 C ATOM 16 C LIG 1 7.260 2.398 -2.174 0.00 0.00 +0.028 C BRANCH 14 17 ATOM 17 N LIG 1 8.634 4.141 -0.910 0.00 0.00 -0.327 NA ATOM 18 H LIG 1 9.424 3.513 -1.055 0.00 0.00 +0.118 HD ATOM 19 H LIG 1 8.709 4.470 0.052 0.00 0.00 +0.118 HD ENDBRANCH 14 17 ENDBRANCH 8 15 ENDBRANCH 4 11 ENDBRANCH 3 6 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 -2.848 -3.323 2.571 0.00 0.00 +0.019 C BRANCH 20 21 ATOM 21 C LIG 1 -3.210 -3.728 1.141 0.00 0.00 +0.104 C BRANCH 21 22 ATOM 22 N LIG 1 -3.754 -2.660 0.327 0.00 0.00 -0.311 N ATOM 23 H LIG 1 -3.365 -2.545 -0.601 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 -4.980 -2.088 0.588 0.00 0.00 +0.245 C ATOM 25 O LIG 1 -5.670 -2.349 1.566 0.00 0.00 -0.270 OA BRANCH 24 26 ATOM 26 C LIG 1 -5.492 -1.159 -0.452 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -4.718 -0.096 -1.003 0.00 0.00 +0.016 A ATOM 28 C LIG 1 -5.289 0.685 -2.029 0.00 0.00 +0.113 A ATOM 29 N LIG 1 -4.644 1.704 -2.638 0.00 0.00 -0.251 NA ATOM 30 C LIG 1 -3.393 1.998 -2.228 0.00 0.00 +0.111 A ATOM 31 C LIG 1 -2.742 1.322 -1.217 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -6.590 0.405 -2.439 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -7.361 -0.608 -1.882 0.00 0.00 +0.048 A ATOM 34 C LIG 1 -3.414 0.274 -0.598 0.00 0.00 +0.012 A ATOM 35 C LIG 1 -6.808 -1.393 -0.880 0.00 0.00 +0.017 A BRANCH 32 36 ATOM 36 O LIG 1 -7.155 1.165 -3.436 0.00 0.00 -0.505 OA ATOM 37 H LIG 1 -6.454 1.812 -3.666 0.00 0.00 +0.292 HD ENDBRANCH 32 36 ENDBRANCH 24 26 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 11