REMARK Name = BDB010275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.363 -1.168 -1.953 0.00 0.00 +0.052 A ATOM 2 C LIG 1 -0.150 0.153 -2.057 0.00 0.00 +0.043 A ATOM 3 C LIG 1 -1.045 1.051 -1.265 0.00 0.00 +0.265 A ATOM 4 O LIG 1 -0.891 2.265 -1.405 0.00 0.00 -0.267 OA ATOM 5 N LIG 1 -1.940 0.431 -0.403 0.00 0.00 -0.232 N ATOM 6 C LIG 1 -2.076 -0.941 -0.424 0.00 0.00 +0.123 A ATOM 7 N LIG 1 -1.326 -1.711 -1.151 0.00 0.00 -0.237 NA ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -2.668 1.267 0.488 0.00 0.00 +0.239 A ATOM 9 N LIG 1 -3.065 2.485 0.079 0.00 0.00 -0.216 NA ATOM 10 C LIG 1 -3.721 3.271 0.961 0.00 0.00 +0.161 A ATOM 11 C LIG 1 -4.018 2.907 2.252 0.00 0.00 +0.157 A ATOM 12 C LIG 1 -3.591 1.645 2.582 0.00 0.00 +0.161 A ATOM 13 N LIG 1 -2.932 0.821 1.732 0.00 0.00 -0.216 NA BRANCH 11 14 ATOM 14 O LIG 1 -4.681 3.803 3.025 0.00 0.00 -0.489 OA BRANCH 14 15 ATOM 15 C LIG 1 -4.935 3.420 4.378 0.00 0.00 +0.226 C ATOM 16 C LIG 1 -5.648 4.570 5.064 0.00 0.00 +0.048 C ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 8 BRANCH 6 17 ATOM 17 C LIG 1 -3.163 -1.667 0.397 0.00 0.00 +0.056 C ATOM 18 C LIG 1 -3.892 -2.759 -0.422 0.00 0.00 +0.011 C ATOM 19 C LIG 1 -4.430 -3.910 0.436 0.00 0.00 +0.001 C ATOM 20 C LIG 1 -4.797 -3.450 1.840 0.00 0.00 +0.000 C ATOM 21 C LIG 1 -3.592 -2.873 2.584 0.00 0.00 +0.001 C ATOM 22 C LIG 1 -2.532 -2.279 1.655 0.00 0.00 +0.011 C ENDBRANCH 6 17 BRANCH 1 23 ATOM 23 C LIG 1 0.443 -2.216 -2.696 0.00 0.00 +0.056 C BRANCH 23 24 ATOM 24 C LIG 1 -0.308 -2.740 -3.924 0.00 0.00 +0.006 C BRANCH 24 26 ATOM 25 C LIG 1 -0.223 -4.314 -5.891 0.00 0.00 +0.004 C ATOM 26 C LIG 1 0.520 -3.782 -4.675 0.00 0.00 -0.003 C ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 1 23 BRANCH 2 27 ATOM 27 C LIG 1 0.872 0.826 -2.943 0.00 0.00 +0.079 C BRANCH 27 28 ATOM 28 C LIG 1 2.199 1.079 -2.268 0.00 0.00 -0.025 A ATOM 29 C LIG 1 3.329 0.337 -2.591 0.00 0.00 +0.115 A ATOM 30 N LIG 1 4.544 0.497 -2.017 0.00 0.00 -0.255 NA ATOM 31 C LIG 1 4.660 1.430 -1.041 0.00 0.00 +0.072 A ATOM 32 C LIG 1 3.593 2.249 -0.679 0.00 0.00 +0.028 A ATOM 33 C LIG 1 2.356 2.069 -1.296 0.00 0.00 +0.007 A BRANCH 31 34 ATOM 34 C LIG 1 6.003 1.562 -0.451 0.00 0.00 +0.011 A ATOM 35 C LIG 1 6.273 1.527 0.934 0.00 0.00 +0.030 A ATOM 36 C LIG 1 7.587 1.702 1.412 0.00 0.00 +0.012 A ATOM 37 C LIG 1 8.642 1.911 0.525 0.00 0.00 +0.001 A ATOM 38 C LIG 1 8.398 1.938 -0.843 0.00 0.00 +0.001 A ATOM 39 C LIG 1 7.097 1.761 -1.321 0.00 0.00 +0.011 A BRANCH 35 40 ATOM 40 C LIG 1 5.222 1.264 1.931 0.00 0.00 +0.183 A ATOM 41 N LIG 1 5.203 1.948 3.085 0.00 0.00 -0.271 N ATOM 42 H LIG 1 5.800 2.692 3.399 0.00 0.00 +0.174 HD ATOM 43 C LIG 1 4.134 1.516 3.770 0.00 0.00 +0.440 A ATOM 44 O LIG 1 3.772 1.933 4.859 0.00 0.00 -0.221 OA ATOM 45 O LIG 1 3.511 0.539 3.037 0.00 0.00 -0.295 OA ATOM 46 N LIG 1 4.262 0.408 1.826 0.00 0.00 -0.054 NA ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 2 27 TORSDOF 11