REMARK Name = BDB009254 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.636 -1.353 0.381 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -2.676 -0.875 1.190 0.00 0.00 +0.017 A ATOM 3 C LIG 1 -3.913 -1.536 1.232 0.00 0.00 -0.041 A ATOM 4 C LIG 1 -4.084 -2.697 0.465 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -3.055 -3.170 -0.351 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.833 -2.497 -0.401 0.00 0.00 +0.013 A ENDROOT BRANCH 1 8 ATOM 7 O LIG 1 -0.349 0.604 0.615 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.355 -0.594 0.359 0.00 0.00 +0.244 C ATOM 9 N LIG 1 0.782 -1.325 0.076 0.00 0.00 -0.311 N ATOM 10 H LIG 1 0.726 -2.329 0.191 0.00 0.00 +0.149 HD BRANCH 9 11 ATOM 11 C LIG 1 2.095 -0.714 0.196 0.00 0.00 +0.109 C BRANCH 11 12 ATOM 12 C LIG 1 3.153 -1.500 -0.578 0.00 0.00 +0.054 C BRANCH 12 13 ATOM 13 C LIG 1 4.526 -0.896 -0.432 0.00 0.00 -0.046 A ATOM 14 C LIG 1 4.934 0.149 -1.268 0.00 0.00 +0.004 A ATOM 15 C LIG 1 6.200 0.723 -1.121 0.00 0.00 +0.009 A ATOM 16 C LIG 1 7.091 0.272 -0.134 0.00 0.00 -0.018 A ATOM 17 C LIG 1 6.669 -0.774 0.703 0.00 0.00 +0.009 A ATOM 18 C LIG 1 5.403 -1.349 0.559 0.00 0.00 +0.004 A BRANCH 16 19 ATOM 19 C LIG 1 8.424 0.878 0.021 0.00 0.00 -0.018 A ATOM 20 C LIG 1 9.585 0.087 0.007 0.00 0.00 +0.008 A ATOM 21 C LIG 1 10.850 0.661 0.153 0.00 0.00 +0.001 A ATOM 22 C LIG 1 10.976 2.038 0.318 0.00 0.00 +0.000 A ATOM 23 C LIG 1 9.838 2.841 0.335 0.00 0.00 +0.001 A ATOM 24 C LIG 1 8.573 2.265 0.187 0.00 0.00 +0.008 A ENDBRANCH 16 19 ENDBRANCH 12 13 ENDBRANCH 11 12 ENDBRANCH 9 11 ENDBRANCH 1 8 BRANCH 3 25 ATOM 25 C LIG 1 -5.028 -1.017 2.108 0.00 0.00 +0.092 C BRANCH 25 26 ATOM 26 C LIG 1 -6.324 -0.757 1.347 0.00 0.00 +0.069 A ATOM 27 C LIG 1 -6.442 0.449 0.467 0.00 0.00 -0.016 A ATOM 28 C LIG 1 -5.319 1.443 0.356 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -5.740 2.763 -0.297 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -6.606 2.514 -1.525 0.00 0.00 +0.005 C ATOM 31 C LIG 1 -7.866 1.729 -1.157 0.00 0.00 +0.041 C ATOM 32 C LIG 1 -7.597 0.595 -0.206 0.00 0.00 +0.023 A ATOM 33 C LIG 1 -8.689 -0.396 -0.035 0.00 0.00 +0.268 A ATOM 34 O LIG 1 -9.761 -0.286 -0.622 0.00 0.00 -0.266 OA ATOM 35 N LIG 1 -8.429 -1.432 0.819 0.00 0.00 -0.243 N ATOM 36 H LIG 1 -9.163 -2.119 0.951 0.00 0.00 +0.192 HD ATOM 37 N LIG 1 -7.272 -1.634 1.503 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 3 25 TORSDOF 7