REMARK Name = BDB013132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.365 -0.226 -0.863 0.00 0.00 +0.047 A ATOM 2 C LIG 1 -0.663 -1.086 -1.324 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -1.952 -0.620 -1.238 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -2.736 -1.631 -1.714 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -1.982 -2.639 -2.092 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -2.285 0.645 -0.731 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -1.329 1.425 -0.299 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.671 -2.296 -1.844 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -0.027 0.972 -0.380 0.00 0.00 +0.126 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 1.998 -0.141 -3.388 0.00 0.00 +0.044 C ATOM 11 C LIG 1 2.581 -0.498 -2.048 0.00 0.00 -0.039 A ATOM 12 C LIG 1 1.801 -0.549 -0.882 0.00 0.00 +0.008 A ATOM 13 C LIG 1 2.436 -0.925 0.302 0.00 0.00 +0.120 A ATOM 14 N LIG 1 3.751 -1.230 0.412 0.00 0.00 -0.250 NA ATOM 15 C LIG 1 4.489 -1.179 -0.724 0.00 0.00 +0.126 A ATOM 16 C LIG 1 3.941 -0.830 -1.958 0.00 0.00 +0.037 A BRANCH 15 17 ATOM 17 C LIG 1 5.952 -1.539 -0.664 0.00 0.00 +0.265 C ATOM 18 N LIG 1 6.598 -1.722 0.551 0.00 0.00 -0.296 N ATOM 19 C LIG 1 6.079 -1.508 1.895 0.00 0.00 +0.108 C ATOM 20 C LIG 1 7.308 -1.573 2.794 0.00 0.00 +0.020 C ATOM 21 C LIG 1 8.235 -2.516 2.040 0.00 0.00 +0.020 C ATOM 22 C LIG 1 7.989 -2.136 0.589 0.00 0.00 +0.108 C ATOM 23 O LIG 1 6.565 -1.665 -1.728 0.00 0.00 -0.268 OA ENDBRANCH 15 17 ENDBRANCH 1 12 BRANCH 6 24 ATOM 24 N LIG 1 -3.610 1.025 -0.696 0.00 0.00 -0.310 N ATOM 25 H LIG 1 -4.241 0.586 -1.358 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.986 2.396 -0.391 0.00 0.00 +0.143 C BRANCH 26 27 ATOM 27 C LIG 1 -5.470 2.468 -0.178 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -6.082 1.964 0.965 0.00 0.00 +0.005 A ATOM 29 C LIG 1 -5.497 1.254 2.129 0.00 0.00 +0.080 C ATOM 30 C LIG 1 -6.700 1.292 3.072 0.00 0.00 +0.234 C ATOM 31 O LIG 1 -7.906 1.457 2.291 0.00 0.00 -0.491 OA ATOM 32 C LIG 1 -7.462 2.014 1.121 0.00 0.00 +0.124 A ATOM 33 C LIG 1 -8.292 2.557 0.161 0.00 0.00 +0.049 A ATOM 34 C LIG 1 -7.701 3.075 -0.991 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -6.309 3.026 -1.151 0.00 0.00 +0.129 A ATOM 36 F LIG 1 -5.780 3.515 -2.281 0.00 0.00 -0.205 F ENDBRANCH 26 27 ENDBRANCH 24 26 ENDBRANCH 6 24 TORSDOF 5