REMARK Name = BDB024245 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.226 0.864 0.463 0.00 0.00 +0.172 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 -1.378 4.516 -0.756 0.00 0.00 +0.120 A ATOM 3 C LIG 1 -1.458 3.386 0.065 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -1.119 2.108 -0.412 0.00 0.00 -0.018 A ATOM 5 C LIG 1 -0.726 1.987 -1.756 0.00 0.00 +0.006 A ATOM 6 C LIG 1 -0.643 3.110 -2.579 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -0.964 4.374 -2.079 0.00 0.00 +0.045 A BRANCH 2 9 ATOM 8 C LIG 1 -1.653 6.873 -0.930 0.00 0.00 +0.277 C ATOM 9 O LIG 1 -1.733 5.688 -0.148 0.00 0.00 -0.495 OA ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 10 ATOM 10 C LIG 1 -0.690 1.109 1.904 0.00 0.00 +0.240 C ATOM 11 N LIG 1 0.553 0.738 2.309 0.00 0.00 -0.269 N ATOM 12 H LIG 1 0.663 0.796 3.314 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -1.425 1.615 2.768 0.00 0.00 -0.273 OA BRANCH 11 14 ATOM 14 C LIG 1 1.707 0.271 1.696 0.00 0.00 +0.125 A ATOM 15 N LIG 1 2.608 -0.204 2.580 0.00 0.00 -0.240 NA ATOM 16 C LIG 1 3.783 -0.685 2.102 0.00 0.00 +0.121 A ATOM 17 C LIG 1 4.135 -0.706 0.760 0.00 0.00 +0.003 A ATOM 18 C LIG 1 3.201 -0.179 -0.130 0.00 0.00 +0.013 A ATOM 19 C LIG 1 1.980 0.319 0.341 0.00 0.00 +0.044 A BRANCH 17 20 ATOM 20 C LIG 1 5.416 -1.228 0.323 0.00 0.00 +0.021 A ATOM 21 C LIG 1 5.687 -1.736 -0.932 0.00 0.00 +0.116 A ATOM 22 N LIG 1 6.994 -2.131 -0.915 0.00 0.00 -0.274 N ATOM 23 C LIG 1 7.736 -2.732 -1.996 0.00 0.00 +0.172 C ATOM 24 N LIG 1 7.601 -1.917 0.265 0.00 0.00 -0.179 NA ATOM 25 C LIG 1 6.641 -1.372 1.017 0.00 0.00 +0.143 A ENDBRANCH 17 20 ENDBRANCH 11 14 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -2.623 0.387 0.602 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.150 1.094 1.120 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.288 0.050 -0.655 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.631 -0.657 -0.410 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -4.484 -2.098 0.027 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -4.238 -2.412 1.370 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.087 -3.740 1.774 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -4.180 -4.772 0.835 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -4.423 -4.467 -0.507 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -4.572 -3.137 -0.910 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -4.024 -6.136 1.246 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -3.897 -7.243 1.571 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10