REMARK Name = BDB058522 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.129 0.264 0.675 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.401 1.498 1.031 0.00 0.00 +0.027 A ATOM 3 S LIG 1 0.823 2.560 1.610 0.00 0.00 -0.091 S ATOM 4 C LIG 1 2.055 1.399 1.387 0.00 0.00 +0.005 A ATOM 5 C LIG 1 1.548 0.223 0.876 0.00 0.00 +0.021 A ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 -2.216 -2.987 -0.888 0.00 0.00 -0.042 A ATOM 7 C LIG 1 -1.113 -2.466 -1.591 0.00 0.00 +0.005 A ATOM 8 C LIG 1 -0.351 -1.408 -1.082 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -0.675 -0.835 0.149 0.00 0.00 -0.017 A ATOM 10 C LIG 1 -1.758 -1.345 0.867 0.00 0.00 +0.009 A ATOM 11 C LIG 1 -2.520 -2.403 0.353 0.00 0.00 +0.005 A BRANCH 6 13 ATOM 12 C LIG 1 -2.117 -5.372 -1.694 0.00 0.00 +0.015 C ATOM 13 C LIG 1 -3.033 -4.148 -1.482 0.00 0.00 -0.013 C ATOM 14 C LIG 1 -3.632 -3.719 -2.839 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -4.208 -4.607 -0.589 0.00 0.00 +0.015 C ENDBRANCH 6 13 ENDBRANCH 1 9 BRANCH 2 16 ATOM 16 C LIG 1 -1.779 2.003 0.948 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -2.452 2.024 -0.275 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.771 2.485 -0.355 0.00 0.00 +0.005 A ATOM 19 C LIG 1 -4.463 2.943 0.782 0.00 0.00 -0.042 A ATOM 20 C LIG 1 -3.774 2.918 2.004 0.00 0.00 +0.005 A ATOM 21 C LIG 1 -2.454 2.454 2.087 0.00 0.00 +0.009 A BRANCH 19 22 ATOM 22 C LIG 1 -5.914 3.440 0.654 0.00 0.00 -0.013 C ATOM 23 C LIG 1 -5.972 4.630 -0.329 0.00 0.00 +0.015 C ATOM 24 C LIG 1 -6.529 3.920 1.988 0.00 0.00 +0.015 C ATOM 25 C LIG 1 -6.808 2.299 0.124 0.00 0.00 +0.015 C ENDBRANCH 19 22 ENDBRANCH 2 16 BRANCH 4 26 ATOM 26 C LIG 1 3.480 1.721 1.726 0.00 0.00 +0.123 C BRANCH 26 27 ATOM 27 N LIG 1 4.224 2.003 0.496 0.00 0.00 -0.312 NA ATOM 28 H LIG 1 3.761 2.784 0.031 0.00 0.00 +0.122 HD BRANCH 27 29 ATOM 29 C LIG 1 5.616 2.360 0.754 0.00 0.00 +0.081 C BRANCH 29 30 ATOM 30 C LIG 1 6.533 1.191 1.146 0.00 0.00 +0.019 C BRANCH 30 31 ATOM 31 C LIG 1 6.766 0.149 0.034 0.00 0.00 -0.007 C ATOM 32 C LIG 1 7.958 -0.756 0.377 0.00 0.00 +0.019 C ATOM 33 C LIG 1 8.262 -1.730 -0.769 0.00 0.00 +0.081 C ATOM 34 N LIG 1 7.084 -2.191 -1.513 0.00 0.00 -0.316 NA ATOM 35 H LIG 1 6.938 -1.571 -2.311 0.00 0.00 +0.122 HD ATOM 36 C LIG 1 5.884 -2.155 -0.682 0.00 0.00 +0.081 C ATOM 37 C LIG 1 5.529 -0.725 -0.259 0.00 0.00 +0.019 C ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 4 26 TORSDOF 9