REMARK Name = BDB023763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.859 -1.537 1.910 0.00 0.00 -0.322 N ATOM 2 C LIG 1 -2.479 -0.324 2.029 0.00 0.00 +0.149 A ATOM 3 C LIG 1 -3.595 -0.332 1.210 0.00 0.00 +0.091 A ATOM 4 C LIG 1 -4.434 0.853 1.178 0.00 0.00 +0.264 A ATOM 5 N LIG 1 -3.950 1.846 2.011 0.00 0.00 -0.296 N ATOM 6 C LIG 1 -4.594 3.113 2.227 0.00 0.00 +0.127 C ATOM 7 C LIG 1 -3.503 3.962 2.860 0.00 0.00 +0.029 C ATOM 8 C LIG 1 -2.639 2.958 3.618 0.00 0.00 +0.076 C ATOM 9 C LIG 1 -2.807 1.713 2.799 0.00 0.00 +0.115 A ATOM 10 O LIG 1 -5.444 0.963 0.492 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -3.658 -1.604 0.575 0.00 0.00 +0.014 A ATOM 12 N LIG 1 -2.029 0.675 2.835 0.00 0.00 -0.216 NA ATOM 13 C LIG 1 -2.563 -2.323 1.030 0.00 0.00 +0.097 A ENDROOT BRANCH 11 14 ATOM 14 C LIG 1 -4.617 -2.154 -0.370 0.00 0.00 -0.013 A ATOM 15 C LIG 1 -5.019 -1.409 -1.487 0.00 0.00 +0.025 A ATOM 16 C LIG 1 -5.942 -1.935 -2.406 0.00 0.00 +0.080 A ATOM 17 C LIG 1 -6.483 -3.214 -2.186 0.00 0.00 +0.147 A ATOM 18 C LIG 1 -6.076 -3.959 -1.074 0.00 0.00 +0.084 A ATOM 19 CL LIG 1 -6.702 -5.540 -0.767 0.00 0.00 -0.080 Cl ATOM 20 C LIG 1 -5.147 -3.434 -0.174 0.00 0.00 +0.032 A BRANCH 16 21 ATOM 21 C LIG 1 -6.370 -1.157 -3.601 0.00 0.00 +0.245 C ATOM 22 O LIG 1 -7.356 -1.501 -4.246 0.00 0.00 -0.270 OA ATOM 23 N LIG 1 -5.624 -0.082 -3.995 0.00 0.00 -0.325 N ATOM 24 H LIG 1 -4.706 0.131 -3.636 0.00 0.00 +0.145 HD ATOM 25 H LIG 1 -5.900 0.368 -4.859 0.00 0.00 +0.145 HD ENDBRANCH 16 21 BRANCH 17 26 ATOM 26 O LIG 1 -7.407 -3.770 -3.038 0.00 0.00 -0.505 OA ATOM 27 H LIG 1 -7.678 -3.089 -3.695 0.00 0.00 +0.292 HD ENDBRANCH 17 26 ENDBRANCH 11 14 BRANCH 1 28 ATOM 28 C LIG 1 -0.657 -1.936 2.622 0.00 0.00 +0.219 C BRANCH 28 31 ATOM 29 N LIG 1 0.766 -0.223 1.634 0.00 0.00 -0.283 N ATOM 30 H LIG 1 0.035 0.393 1.997 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 0.605 -1.580 1.861 0.00 0.00 +0.237 C ATOM 32 O LIG 1 1.399 -2.461 1.538 0.00 0.00 -0.274 OA BRANCH 29 38 ATOM 33 C LIG 1 3.891 0.431 -0.341 0.00 0.00 +0.123 A ATOM 34 N LIG 1 3.854 1.773 -0.446 0.00 0.00 -0.239 NA ATOM 35 C LIG 1 2.819 2.432 0.122 0.00 0.00 +0.134 A ATOM 36 C LIG 1 1.790 1.814 0.808 0.00 0.00 +0.080 A ATOM 37 CL LIG 1 0.525 2.778 1.471 0.00 0.00 -0.080 Cl ATOM 38 C LIG 1 1.815 0.423 0.929 0.00 0.00 +0.057 A ATOM 39 C LIG 1 2.878 -0.262 0.335 0.00 0.00 +0.068 A BRANCH 33 42 ATOM 40 C LIG 1 4.918 0.924 -3.126 0.00 0.00 +0.029 C ATOM 41 C LIG 1 5.754 0.341 -1.986 0.00 0.00 +0.086 C ATOM 42 N LIG 1 4.943 -0.302 -0.915 0.00 0.00 -0.310 N ATOM 43 C LIG 1 5.818 -0.896 0.128 0.00 0.00 +0.122 C ATOM 44 C LIG 1 6.842 0.135 0.672 0.00 0.00 +0.103 C ATOM 45 N LIG 1 7.673 0.811 -0.351 0.00 0.00 -0.302 NA ATOM 46 C LIG 1 8.697 -0.081 -0.891 0.00 0.00 +0.105 C ATOM 47 C LIG 1 6.794 1.350 -1.420 0.00 0.00 +0.106 C ENDBRANCH 33 42 ENDBRANCH 29 38 ENDBRANCH 28 31 ENDBRANCH 1 28 TORSDOF 7