REMARK Name = BDB024257 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.211 -0.587 0.526 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.382 -1.631 -0.570 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -3.090 -2.811 -0.285 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -3.273 -3.789 -1.264 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -2.760 -3.598 -2.544 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -2.073 -2.426 -2.850 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.891 -1.445 -1.873 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.236 -0.500 0.336 0.00 0.00 -0.269 N ATOM 9 H LIG 1 0.154 -1.506 0.246 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -0.907 0.263 0.450 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -0.929 1.490 0.555 0.00 0.00 -0.273 OA BRANCH 8 15 ATOM 12 C LIG 1 4.279 0.505 0.120 0.00 0.00 +0.056 A ATOM 13 C LIG 1 3.758 -0.785 0.055 0.00 0.00 +0.136 A ATOM 14 N LIG 1 2.434 -1.093 0.130 0.00 0.00 -0.238 NA ATOM 15 C LIG 1 1.562 -0.079 0.273 0.00 0.00 +0.125 A ATOM 16 C LIG 1 1.974 1.240 0.348 0.00 0.00 +0.045 A ATOM 17 C LIG 1 3.341 1.529 0.271 0.00 0.00 +0.028 A BRANCH 12 21 ATOM 18 N LIG 1 7.902 0.574 -0.264 0.00 0.00 -0.284 N ATOM 19 C LIG 1 6.696 -0.141 -0.227 0.00 0.00 +0.309 C ATOM 20 O LIG 1 6.603 -1.345 -0.399 0.00 0.00 -0.252 OA ATOM 21 N LIG 1 5.667 0.787 0.044 0.00 0.00 -0.252 N ATOM 22 C LIG 1 6.213 2.125 0.118 0.00 0.00 +0.134 C ATOM 23 C LIG 1 7.715 1.915 0.226 0.00 0.00 +0.128 C BRANCH 18 25 ATOM 24 C LIG 1 9.665 -0.535 1.068 0.00 0.00 +0.024 C ATOM 25 C LIG 1 9.201 -0.071 -0.302 0.00 0.00 +0.106 C ENDBRANCH 18 25 ENDBRANCH 12 21 ENDBRANCH 8 15 ENDBRANCH 1 10 BRANCH 1 26 ATOM 26 N LIG 1 -3.406 0.276 0.721 0.00 0.00 -0.302 NA ATOM 27 H LIG 1 -3.131 1.004 1.385 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.874 0.939 -0.505 0.00 0.00 +0.086 C BRANCH 28 29 ATOM 29 C LIG 1 -4.979 1.968 -0.209 0.00 0.00 +0.050 C BRANCH 29 30 ATOM 30 C LIG 1 -6.287 1.348 0.229 0.00 0.00 -0.046 A ATOM 31 C LIG 1 -6.618 1.271 1.588 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -7.820 0.685 1.993 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -8.703 0.167 1.041 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -8.377 0.237 -0.317 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -7.175 0.823 -0.720 0.00 0.00 +0.005 A BRANCH 33 36 ATOM 36 C LIG 1 -9.935 -0.436 1.455 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -10.934 -0.924 1.791 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10