REMARK Name = BDB054234 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.320 1.190 0.494 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.162 2.039 1.580 0.00 0.00 +0.307 C ATOM 3 N LIG 1 -0.113 3.378 1.303 0.00 0.00 -0.295 N ATOM 4 H LIG 1 0.021 3.946 2.124 0.00 0.00 +0.151 HD ATOM 5 O LIG 1 -0.064 1.662 2.748 0.00 0.00 -0.252 OA ENDROOT BRANCH 1 9 ATOM 6 C LIG 1 3.075 -1.339 -0.260 0.00 0.00 -0.016 A ATOM 7 C LIG 1 3.229 -0.083 0.326 0.00 0.00 +0.010 A ATOM 8 C LIG 1 2.114 0.737 0.547 0.00 0.00 +0.024 A ATOM 9 C LIG 1 0.814 0.328 0.197 0.00 0.00 +0.038 A ATOM 10 C LIG 1 0.685 -0.919 -0.436 0.00 0.00 +0.024 A ATOM 11 C LIG 1 1.797 -1.748 -0.649 0.00 0.00 +0.010 A BRANCH 6 18 ATOM 12 C LIG 1 6.647 -3.040 -3.091 0.00 0.00 +0.152 C ATOM 13 N LIG 1 5.972 -3.093 -1.804 0.00 0.00 -0.318 N ATOM 14 C LIG 1 6.392 -4.028 -0.855 0.00 0.00 +0.251 A ATOM 15 O LIG 1 7.299 -4.842 -1.017 0.00 0.00 -0.268 OA ATOM 16 C LIG 1 5.664 -4.008 0.440 0.00 0.00 +0.071 A ATOM 17 C LIG 1 4.641 -3.162 0.626 0.00 0.00 +0.015 A ATOM 18 C LIG 1 4.222 -2.248 -0.419 0.00 0.00 -0.002 A ATOM 19 C LIG 1 4.901 -2.241 -1.580 0.00 0.00 +0.097 A ENDBRANCH 6 18 ENDBRANCH 1 9 BRANCH 1 20 ATOM 20 C LIG 1 -1.689 0.667 0.238 0.00 0.00 +0.083 C ATOM 21 C LIG 1 -2.055 0.797 -1.254 0.00 0.00 +0.025 C ATOM 22 C LIG 1 -3.362 0.080 -1.621 0.00 0.00 +0.024 C ATOM 23 C LIG 1 -4.346 -0.100 -0.445 0.00 0.00 +0.072 C ATOM 24 C LIG 1 -4.234 1.108 0.497 0.00 0.00 +0.024 C ATOM 25 C LIG 1 -2.822 1.321 1.075 0.00 0.00 +0.025 C BRANCH 23 26 ATOM 26 N LIG 1 -4.024 -1.347 0.264 0.00 0.00 -0.326 N ATOM 27 H LIG 1 -3.770 -2.099 -0.373 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.016 -1.858 1.120 0.00 0.00 +0.119 A ATOM 29 N LIG 1 -6.223 -1.270 1.208 0.00 0.00 -0.239 NA ATOM 30 C LIG 1 -7.137 -1.810 2.054 0.00 0.00 +0.131 A ATOM 31 C LIG 1 -6.902 -2.927 2.836 0.00 0.00 +0.070 A ATOM 32 C LIG 1 -5.653 -3.528 2.744 0.00 0.00 +0.024 A ATOM 33 C LIG 1 -4.702 -2.989 1.876 0.00 0.00 +0.045 A BRANCH 31 34 ATOM 34 C LIG 1 -7.918 -3.437 3.700 0.00 0.00 +0.101 C ATOM 35 N LIG 1 -8.747 -3.853 4.396 0.00 0.00 -0.191 NA ENDBRANCH 31 34 ENDBRANCH 26 28 ENDBRANCH 23 26 ENDBRANCH 1 20 BRANCH 3 36 ATOM 36 C LIG 1 -0.144 4.013 0.007 0.00 0.00 +0.141 C BRANCH 36 37 ATOM 37 C LIG 1 1.227 4.186 -0.590 0.00 0.00 -0.030 A ATOM 38 C LIG 1 1.510 3.658 -1.857 0.00 0.00 +0.005 A ATOM 39 C LIG 1 2.775 3.814 -2.426 0.00 0.00 +0.000 A ATOM 40 C LIG 1 3.770 4.501 -1.736 0.00 0.00 +0.000 A ATOM 41 C LIG 1 3.504 5.028 -0.473 0.00 0.00 +0.000 A ATOM 42 C LIG 1 2.237 4.879 0.094 0.00 0.00 +0.005 A ENDBRANCH 36 37 ENDBRANCH 3 36 TORSDOF 8