REMARK Name = BDB004255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.813 0.087 0.002 0.00 0.00 +0.004 C ATOM 2 C LIG 1 -0.571 -0.520 -0.352 0.00 0.00 +0.011 C ATOM 3 C LIG 1 -1.135 0.932 -0.447 0.00 0.00 -0.026 C ATOM 4 C LIG 1 -1.731 1.502 0.849 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -3.120 0.912 1.099 0.00 0.00 +0.105 C ATOM 6 N LIG 1 -3.986 1.148 -0.074 0.00 0.00 -0.330 N ATOM 7 C LIG 1 -3.456 0.592 -1.329 0.00 0.00 +0.105 C ATOM 8 C LIG 1 -2.080 1.193 -1.623 0.00 0.00 +0.026 C ATOM 9 C LIG 1 0.334 1.381 -0.713 0.00 0.00 +0.011 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.349 0.922 0.204 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -5.997 1.719 1.161 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -7.346 1.537 1.486 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -8.106 0.546 0.855 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -7.479 -0.238 -0.122 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.127 -0.050 -0.439 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -9.581 0.385 1.208 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -10.519 1.198 0.277 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -11.967 0.917 0.701 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -12.344 -0.461 0.676 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -11.431 -1.343 1.187 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -11.921 -2.632 1.415 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -11.082 -3.604 1.942 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -9.762 -3.306 2.250 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -9.271 -2.021 2.013 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -10.090 -1.028 1.443 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -10.282 1.064 -1.229 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -10.774 0.000 -1.998 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -10.515 -0.076 -3.369 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -9.756 0.908 -3.996 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -9.253 1.969 -3.251 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -9.514 2.047 -1.881 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -11.521 -4.872 2.184 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -12.450 -4.934 1.907 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 2.006 -0.685 -0.563 0.00 0.00 +0.088 C BRANCH 34 45 ATOM 35 N LIG 1 11.912 -0.114 0.293 0.00 0.00 -0.282 N ATOM 36 C LIG 1 11.340 0.850 1.116 0.00 0.00 +0.248 C ATOM 37 O LIG 1 11.882 1.537 1.960 0.00 0.00 -0.270 OA ATOM 38 C LIG 1 9.916 0.917 0.776 0.00 0.00 +0.045 A ATOM 39 C LIG 1 9.692 0.080 -0.310 0.00 0.00 -0.016 A ATOM 40 C LIG 1 8.421 -0.044 -0.852 0.00 0.00 +0.032 A ATOM 41 C LIG 1 7.350 0.671 -0.281 0.00 0.00 +0.073 A ATOM 42 N LIG 1 6.066 0.600 -0.842 0.00 0.00 -0.318 N ATOM 43 C LIG 1 5.102 1.578 -0.279 0.00 0.00 +0.125 C ATOM 44 C LIG 1 3.640 1.150 -0.565 0.00 0.00 +0.110 C ATOM 45 N LIG 1 3.287 -0.186 -0.041 0.00 0.00 -0.299 NA ATOM 46 C LIG 1 4.387 -1.158 -0.261 0.00 0.00 +0.103 C ATOM 47 C LIG 1 5.347 1.762 1.223 0.00 0.00 +0.252 C ATOM 48 O LIG 1 6.663 2.271 1.469 0.00 0.00 -0.488 OA ATOM 49 C LIG 1 5.513 -0.711 -1.223 0.00 0.00 +0.121 C ATOM 50 C LIG 1 7.628 1.520 0.833 0.00 0.00 +0.142 A ATOM 51 C LIG 1 8.914 1.659 1.361 0.00 0.00 +0.061 A ATOM 52 C LIG 1 10.977 -0.536 -0.749 0.00 0.00 +0.144 C BRANCH 35 59 ATOM 53 O LIG 1 13.961 -4.266 1.140 0.00 0.00 -0.275 OA ATOM 54 C LIG 1 13.904 -3.064 0.894 0.00 0.00 +0.219 C ATOM 55 N LIG 1 14.043 -2.604 -0.391 0.00 0.00 -0.255 N ATOM 56 H LIG 1 14.212 -3.310 -1.095 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 13.747 -1.348 -0.866 0.00 0.00 +0.240 C ATOM 58 O LIG 1 13.664 -1.153 -2.078 0.00 0.00 -0.273 OA ATOM 59 C LIG 1 13.364 -0.285 0.177 0.00 0.00 +0.163 C ATOM 60 C LIG 1 14.042 -0.645 1.505 0.00 0.00 +0.041 C ATOM 61 C LIG 1 13.614 -2.033 1.957 0.00 0.00 +0.098 C ENDBRANCH 35 59 ENDBRANCH 34 45 ENDBRANCH 1 34 TORSDOF 7