REMARK Name = BDB005124 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.737 0.249 2.345 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.581 -0.833 2.085 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.830 -0.947 2.723 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -3.226 0.044 3.628 0.00 0.00 +0.005 A ATOM 5 C LIG 1 -2.385 1.120 3.903 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.146 1.219 3.267 0.00 0.00 +0.023 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 1.071 -0.328 0.713 0.00 0.00 +0.248 C ATOM 8 N LIG 1 0.523 0.424 1.737 0.00 0.00 -0.281 N ATOM 9 H LIG 1 1.040 1.244 2.029 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 0.526 -1.233 0.093 0.00 0.00 -0.270 OA BRANCH 7 14 ATOM 11 C LIG 1 5.066 0.796 -0.514 0.00 0.00 +0.030 A ATOM 12 C LIG 1 4.105 0.355 -1.434 0.00 0.00 +0.024 A ATOM 13 C LIG 1 2.816 -0.013 -1.027 0.00 0.00 +0.015 A ATOM 14 C LIG 1 2.452 0.068 0.318 0.00 0.00 +0.037 A ATOM 15 C LIG 1 3.395 0.489 1.258 0.00 0.00 +0.015 A ATOM 16 C LIG 1 4.681 0.850 0.838 0.00 0.00 +0.024 A BRANCH 11 21 ATOM 17 C LIG 1 9.134 -1.257 -2.601 0.00 0.00 +0.105 C ATOM 18 N LIG 1 8.766 0.138 -2.375 0.00 0.00 -0.302 NA ATOM 19 C LIG 1 7.449 0.435 -2.987 0.00 0.00 +0.103 C ATOM 20 C LIG 1 6.675 1.559 -2.266 0.00 0.00 +0.120 C ATOM 21 N LIG 1 6.365 1.173 -0.872 0.00 0.00 -0.327 N ATOM 22 C LIG 1 7.422 0.366 -0.210 0.00 0.00 +0.120 C ATOM 23 C LIG 1 8.783 0.486 -0.936 0.00 0.00 +0.103 C ENDBRANCH 11 21 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 24 ATOM 24 C LIG 1 -3.743 -2.111 2.403 0.00 0.00 +0.138 C BRANCH 24 25 ATOM 25 N LIG 1 -4.380 -1.934 1.101 0.00 0.00 -0.324 N ATOM 26 H LIG 1 -3.727 -1.512 0.446 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 -5.595 -1.219 1.065 0.00 0.00 +0.130 A ATOM 28 C LIG 1 -6.207 -0.959 -0.181 0.00 0.00 +0.041 A ATOM 29 C LIG 1 -7.418 -0.238 -0.153 0.00 0.00 +0.088 A ATOM 30 C LIG 1 -8.035 0.050 -1.389 0.00 0.00 +0.063 A ATOM 31 C LIG 1 -7.473 -0.377 -2.608 0.00 0.00 +0.015 A ATOM 32 C LIG 1 -6.293 -1.101 -2.624 0.00 0.00 +0.002 A ATOM 33 N LIG 1 -7.954 0.150 1.026 0.00 0.00 -0.235 NA ATOM 34 C LIG 1 -7.308 -0.185 2.148 0.00 0.00 +0.223 A ATOM 35 C LIG 1 -5.667 -1.391 -1.419 0.00 0.00 +0.013 A ATOM 36 N LIG 1 -6.161 -0.853 2.225 0.00 0.00 -0.220 NA BRANCH 30 37 ATOM 37 C LIG 1 -9.316 0.817 -1.508 0.00 0.00 +0.244 C ATOM 38 O LIG 1 -9.831 1.045 -2.598 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 -9.915 1.266 -0.369 0.00 0.00 -0.325 N ATOM 40 H LIG 1 -9.512 1.069 0.543 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 -10.787 1.770 -0.438 0.00 0.00 +0.145 HD ENDBRANCH 30 37 ENDBRANCH 25 27 ENDBRANCH 24 25 ENDBRANCH 3 24 TORSDOF 7