REMARK Name = BDB037737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.383 -0.814 0.276 0.00 0.00 +0.167 C ATOM 2 C LIG 1 0.663 0.550 0.127 0.00 0.00 +0.057 C ATOM 3 C LIG 1 -0.782 0.206 -0.116 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.975 0.925 0.171 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.035 0.215 -0.246 0.00 0.00 -0.164 NA ATOM 6 N LIG 1 -2.534 -0.907 -0.812 0.00 0.00 -0.246 N ATOM 7 C LIG 1 -1.161 -0.939 -0.793 0.00 0.00 +0.130 A ATOM 8 N LIG 1 -0.255 -1.860 -1.335 0.00 0.00 -0.255 N ATOM 9 C LIG 1 1.095 -1.732 -0.937 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.011 -2.378 -1.461 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.079 2.257 0.814 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.308 2.913 0.854 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -3.428 4.228 1.432 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -4.876 4.628 1.422 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -5.654 3.480 0.837 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -4.141 4.480 2.726 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -4.596 2.513 0.237 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -1.079 2.793 1.297 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -4.564 2.653 -1.235 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -4.556 2.775 -2.391 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 -3.498 -1.909 -1.254 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.515 -2.276 -0.162 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.508 -3.291 -0.705 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -6.154 -2.783 -1.870 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -5.244 -2.521 -2.937 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -4.223 -1.469 -2.530 0.00 0.00 +0.055 C ENDBRANCH 6 21 BRANCH 1 28 ATOM 27 C LIG 1 3.320 -0.421 1.763 0.00 0.00 +0.245 C ATOM 28 N LIG 1 2.822 -0.756 0.526 0.00 0.00 -0.299 N ATOM 29 H LIG 1 3.399 -1.283 -0.121 0.00 0.00 +0.150 HD ATOM 30 O LIG 1 2.605 -0.090 2.702 0.00 0.00 -0.270 OA BRANCH 27 33 ATOM 31 C LIG 1 7.064 -0.477 1.038 0.00 0.00 -0.047 A ATOM 32 C LIG 1 5.677 -0.390 0.844 0.00 0.00 +0.016 A ATOM 33 C LIG 1 4.798 -0.511 1.929 0.00 0.00 +0.037 A ATOM 34 C LIG 1 5.311 -0.693 3.218 0.00 0.00 +0.013 A ATOM 35 C LIG 1 6.689 -0.775 3.419 0.00 0.00 +0.001 A ATOM 36 C LIG 1 7.561 -0.669 2.334 0.00 0.00 +0.003 A BRANCH 31 38 ATOM 37 C LIG 1 8.365 1.131 -0.381 0.00 0.00 +0.009 C ATOM 38 C LIG 1 8.009 -0.326 -0.127 0.00 0.00 +0.032 C ENDBRANCH 31 38 ENDBRANCH 27 33 ENDBRANCH 1 28 BRANCH 2 39 ATOM 39 C LIG 1 1.175 1.506 -0.948 0.00 0.00 -0.001 C ATOM 40 C LIG 1 2.251 1.203 -1.966 0.00 0.00 +0.004 C ATOM 41 C LIG 1 2.534 2.156 -0.838 0.00 0.00 +0.004 C ENDBRANCH 2 39 BRANCH 8 42 ATOM 42 C LIG 1 -0.532 -2.825 -2.392 0.00 0.00 +0.112 C ATOM 43 C LIG 1 -0.608 -4.252 -1.867 0.00 0.00 +0.025 C ENDBRANCH 8 42 TORSDOF 8