REMARK Name = BDB034788 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.876 -0.101 -0.768 0.00 0.00 -0.290 N ATOM 2 C LIG 1 -1.673 -0.316 0.601 0.00 0.00 +0.091 A ATOM 3 C LIG 1 -2.616 -1.236 1.048 0.00 0.00 +0.161 A ATOM 4 N LIG 1 -2.715 -1.686 2.303 0.00 0.00 -0.234 NA ATOM 5 C LIG 1 -1.792 -1.155 3.149 0.00 0.00 +0.136 A ATOM 6 C LIG 1 -0.775 -0.235 2.802 0.00 0.00 +0.053 A ATOM 7 N LIG 1 -3.406 -1.595 -0.045 0.00 0.00 -0.277 N ATOM 8 C LIG 1 -0.742 0.204 1.473 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -2.941 -0.930 -1.193 0.00 0.00 +0.331 A ATOM 10 O LIG 1 -3.351 -1.071 -2.335 0.00 0.00 -0.246 OA ENDROOT BRANCH 6 11 ATOM 11 N LIG 1 0.091 0.264 3.797 0.00 0.00 -0.297 N ATOM 12 H LIG 1 0.004 -0.215 4.690 0.00 0.00 +0.154 HD BRANCH 11 13 ATOM 13 C LIG 1 1.395 0.811 3.664 0.00 0.00 +0.147 A ATOM 14 C LIG 1 1.987 1.415 4.763 0.00 0.00 +0.099 A ATOM 15 CL LIG 1 1.249 1.489 6.313 0.00 0.00 -0.078 Cl ATOM 16 C LIG 1 3.229 1.958 4.553 0.00 0.00 +0.137 A ATOM 17 N LIG 1 3.866 1.923 3.367 0.00 0.00 -0.221 NA ATOM 18 C LIG 1 3.246 1.317 2.342 0.00 0.00 +0.220 A ATOM 19 N LIG 1 2.024 0.771 2.470 0.00 0.00 -0.198 NA BRANCH 18 20 ATOM 20 N LIG 1 3.911 1.219 1.121 0.00 0.00 -0.294 N ATOM 21 C LIG 1 3.053 0.873 -0.020 0.00 0.00 +0.142 C ATOM 22 C LIG 1 3.903 0.590 -1.285 0.00 0.00 +0.080 C ATOM 23 C LIG 1 4.548 -0.802 -1.229 0.00 0.00 +0.043 C ATOM 24 C LIG 1 2.980 0.623 -2.515 0.00 0.00 +0.043 C ATOM 25 O LIG 1 4.880 1.618 -1.537 0.00 0.00 -0.365 OA ATOM 26 C LIG 1 5.667 2.077 -0.421 0.00 0.00 +0.080 C ATOM 27 C LIG 1 6.270 3.411 -0.898 0.00 0.00 +0.043 C ATOM 28 C LIG 1 6.833 1.124 -0.123 0.00 0.00 +0.043 C ATOM 29 C LIG 1 4.815 2.346 0.846 0.00 0.00 +0.142 C ENDBRANCH 18 20 ENDBRANCH 11 13 ENDBRANCH 6 11 BRANCH 1 30 ATOM 30 C LIG 1 -1.110 0.767 -1.623 0.00 0.00 +0.130 C BRANCH 30 31 ATOM 31 C LIG 1 -1.320 2.268 -1.379 0.00 0.00 +0.056 C BRANCH 31 33 ATOM 32 C LIG 1 -3.193 2.560 -3.094 0.00 0.00 +0.041 C ATOM 33 C LIG 1 -2.730 2.829 -1.662 0.00 0.00 +0.062 C ATOM 34 C LIG 1 -2.738 4.341 -1.401 0.00 0.00 +0.041 C BRANCH 33 35 ATOM 35 O LIG 1 -3.686 2.245 -0.779 0.00 0.00 -0.389 OA ATOM 36 H LIG 1 -3.381 2.371 0.135 0.00 0.00 +0.210 HD ENDBRANCH 33 35 ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 1 30 BRANCH 7 37 ATOM 37 C LIG 1 -4.450 -2.586 0.001 0.00 0.00 +0.131 C BRANCH 37 38 ATOM 38 C LIG 1 -3.893 -3.997 -0.214 0.00 0.00 +0.056 C BRANCH 38 39 ATOM 39 C LIG 1 -4.946 -5.112 -0.085 0.00 0.00 +0.062 C ATOM 40 C LIG 1 -6.068 -4.980 -1.116 0.00 0.00 +0.041 C ATOM 41 C LIG 1 -4.273 -6.482 -0.228 0.00 0.00 +0.041 C BRANCH 39 42 ATOM 42 O LIG 1 -5.546 -5.054 1.211 0.00 0.00 -0.389 OA ATOM 43 H LIG 1 -4.836 -5.109 1.875 0.00 0.00 +0.210 HD ENDBRANCH 39 42 ENDBRANCH 38 39 ENDBRANCH 37 38 ENDBRANCH 7 37 TORSDOF 11