REMARK Name = BDB003419 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.202 -2.569 -0.687 0.00 0.00 -0.285 N ATOM 2 C LIG 1 -1.907 -2.035 0.396 0.00 0.00 +0.309 C ATOM 3 O LIG 1 -1.435 -2.120 1.530 0.00 0.00 -0.252 OA ATOM 4 N LIG 1 -3.131 -1.408 0.091 0.00 0.00 -0.255 N ATOM 5 C LIG 1 -3.495 -1.062 -1.290 0.00 0.00 +0.117 C ATOM 6 C LIG 1 -2.442 -1.361 -2.334 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.819 -2.683 -1.991 0.00 0.00 +0.111 C ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -4.111 -1.099 1.124 0.00 0.00 +0.038 A ATOM 9 C LIG 1 -5.212 -0.260 0.861 0.00 0.00 +0.032 A ATOM 10 C LIG 1 -6.186 0.048 1.835 0.00 0.00 -0.013 A ATOM 11 C LIG 1 -6.060 -0.511 3.109 0.00 0.00 +0.009 A ATOM 12 C LIG 1 -4.997 -1.359 3.394 0.00 0.00 +0.002 A ATOM 13 C LIG 1 -4.041 -1.649 2.412 0.00 0.00 +0.023 A BRANCH 10 14 ATOM 14 C LIG 1 -7.297 0.954 1.522 0.00 0.00 +0.019 A ATOM 15 C LIG 1 -8.398 0.591 0.733 0.00 0.00 +0.061 A ATOM 16 CL LIG 1 -8.595 -0.980 0.070 0.00 0.00 -0.082 Cl ATOM 17 C LIG 1 -9.422 1.519 0.458 0.00 0.00 +0.041 A ATOM 18 C LIG 1 -9.253 2.780 1.028 0.00 0.00 +0.140 A ATOM 19 N LIG 1 -10.323 3.561 0.688 0.00 0.00 -0.346 N ATOM 20 H LIG 1 -10.431 4.519 0.986 0.00 0.00 +0.167 HD ATOM 21 C LIG 1 -11.195 2.845 -0.087 0.00 0.00 +0.089 A ATOM 22 N LIG 1 -8.236 3.209 1.796 0.00 0.00 -0.237 NA ATOM 23 C LIG 1 -10.653 1.591 -0.255 0.00 0.00 -0.016 A ATOM 24 C LIG 1 -7.292 2.262 2.010 0.00 0.00 +0.123 A BRANCH 23 25 ATOM 25 C LIG 1 -11.326 0.456 -1.066 0.00 0.00 +0.021 C ATOM 26 C LIG 1 -10.764 0.097 -2.419 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -12.095 0.781 -2.322 0.00 0.00 +0.009 C ENDBRANCH 23 25 ENDBRANCH 10 14 ENDBRANCH 4 8 BRANCH 1 28 ATOM 28 C LIG 1 0.012 -3.351 -0.435 0.00 0.00 +0.113 C BRANCH 28 32 ATOM 29 N LIG 1 3.479 -0.852 -0.619 0.00 0.00 -0.330 N ATOM 30 C LIG 1 2.535 -0.673 -1.724 0.00 0.00 +0.105 C ATOM 31 C LIG 1 1.633 -1.907 -1.829 0.00 0.00 +0.024 C ATOM 32 C LIG 1 1.329 -2.551 -0.461 0.00 0.00 +0.009 C ATOM 33 C LIG 1 1.443 -1.507 0.654 0.00 0.00 +0.024 C ATOM 34 C LIG 1 2.854 -0.903 0.715 0.00 0.00 +0.105 C BRANCH 29 42 ATOM 35 N LIG 1 8.815 1.691 0.337 0.00 0.00 -0.282 N ATOM 36 C LIG 1 7.619 1.481 1.006 0.00 0.00 +0.248 C ATOM 37 O LIG 1 7.329 1.810 2.139 0.00 0.00 -0.270 OA ATOM 38 C LIG 1 6.737 0.762 0.080 0.00 0.00 +0.043 A ATOM 39 C LIG 1 7.416 0.594 -1.120 0.00 0.00 -0.018 A ATOM 40 C LIG 1 6.805 -0.070 -2.161 0.00 0.00 +0.008 A ATOM 41 C LIG 1 5.498 -0.543 -1.963 0.00 0.00 +0.023 A ATOM 42 C LIG 1 4.777 -0.353 -0.753 0.00 0.00 +0.030 A ATOM 43 C LIG 1 5.447 0.302 0.292 0.00 0.00 +0.036 A ATOM 44 C LIG 1 8.768 1.216 -1.042 0.00 0.00 +0.144 C BRANCH 35 51 ATOM 45 O LIG 1 13.355 0.267 0.147 0.00 0.00 -0.275 OA ATOM 46 C LIG 1 12.398 0.960 0.482 0.00 0.00 +0.219 C ATOM 47 N LIG 1 12.144 2.153 -0.147 0.00 0.00 -0.255 N ATOM 48 H LIG 1 12.789 2.398 -0.886 0.00 0.00 +0.158 HD ATOM 49 C LIG 1 10.975 2.876 -0.119 0.00 0.00 +0.240 C ATOM 50 O LIG 1 10.757 3.725 -0.982 0.00 0.00 -0.273 OA ATOM 51 C LIG 1 9.925 2.449 0.916 0.00 0.00 +0.163 C ATOM 52 C LIG 1 10.607 1.696 2.065 0.00 0.00 +0.041 C ATOM 53 C LIG 1 11.407 0.518 1.531 0.00 0.00 +0.098 C ENDBRANCH 35 51 ENDBRANCH 29 42 ENDBRANCH 28 32 ENDBRANCH 1 28 TORSDOF 7