REMARK Name = BDB039192 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.329 1.683 0.276 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.420 0.713 -0.106 0.00 0.00 -0.263 N ATOM 3 C LIG 1 3.989 0.894 0.118 0.00 0.00 +0.148 C ATOM 4 C LIG 1 3.109 -0.138 -0.540 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.647 -1.215 -1.281 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.804 -2.150 -1.896 0.00 0.00 +0.006 A ATOM 7 C LIG 1 1.413 -2.069 -1.781 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.890 -1.007 -1.033 0.00 0.00 +0.069 A ATOM 9 N LIG 1 -0.401 -0.611 -0.716 0.00 0.00 -0.324 N ATOM 10 C LIG 1 -0.307 0.511 0.090 0.00 0.00 +0.114 A ATOM 11 N LIG 1 0.955 0.861 0.252 0.00 0.00 -0.232 NA ATOM 12 C LIG 1 5.141 -1.324 -1.456 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.706 -0.063 -0.422 0.00 0.00 +0.094 A ATOM 14 C LIG 1 5.890 -0.648 -0.312 0.00 0.00 +0.116 C ATOM 15 O LIG 1 7.544 1.518 0.291 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.453 1.276 0.700 0.00 0.00 +0.055 C ATOM 17 C LIG 1 -1.606 2.652 0.020 0.00 0.00 +0.012 C ATOM 18 C LIG 1 -0.849 3.756 0.756 0.00 0.00 +0.015 C ATOM 19 C LIG 1 -1.324 3.916 2.209 0.00 0.00 +0.098 C ATOM 20 C LIG 1 -1.949 2.633 2.784 0.00 0.00 +0.015 C ATOM 21 C LIG 1 -1.266 1.390 2.228 0.00 0.00 +0.012 C BRANCH 19 22 ATOM 22 C LIG 1 -2.291 5.086 2.312 0.00 0.00 +0.308 C ATOM 23 O LIG 1 -3.508 4.991 2.351 0.00 0.00 -0.251 OA BRANCH 22 24 ATOM 24 O LIG 1 -1.664 6.286 2.333 0.00 0.00 -0.480 OA ATOM 25 H LIG 1 -0.692 6.226 2.274 0.00 0.00 +0.295 HD ENDBRANCH 22 24 ENDBRANCH 19 22 ENDBRANCH 10 16 BRANCH 1 27 ATOM 26 C LIG 1 6.632 3.879 1.031 0.00 0.00 +0.282 C ATOM 27 O LIG 1 5.726 2.849 0.638 0.00 0.00 -0.454 OA ENDBRANCH 1 27 BRANCH 9 28 ATOM 28 C LIG 1 -1.607 -1.303 -1.187 0.00 0.00 +0.086 C ATOM 29 C LIG 1 -2.532 -0.393 -2.001 0.00 0.00 +0.031 C BRANCH 28 30 ATOM 30 C LIG 1 -2.297 -2.079 -0.045 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -3.526 -2.914 -0.453 0.00 0.00 +0.017 C ATOM 32 C LIG 1 -4.167 -3.555 0.796 0.00 0.00 +0.163 C ATOM 33 O LIG 1 -4.894 -4.755 0.523 0.00 0.00 -0.379 OA ATOM 34 C LIG 1 -5.531 -4.744 -0.746 0.00 0.00 +0.160 C ATOM 35 C LIG 1 -4.482 -4.786 -1.850 0.00 0.00 +0.028 C ATOM 36 C LIG 1 -3.220 -3.998 -1.490 0.00 0.00 +0.008 C ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 9 28 TORSDOF 7