REMARK Name = BDB036722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.284 0.376 1.956 0.00 0.00 +0.151 A ATOM 2 C LIG 1 0.918 0.346 1.650 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.029 0.021 0.587 0.00 0.00 +0.150 C ATOM 4 N LIG 1 -1.333 0.354 1.242 0.00 0.00 -0.270 N ATOM 5 C LIG 1 -1.200 0.835 2.669 0.00 0.00 +0.075 C ATOM 6 C LIG 1 -1.715 2.265 2.842 0.00 0.00 +0.038 C ATOM 7 C LIG 1 -1.835 -0.131 3.674 0.00 0.00 +0.038 C ATOM 8 C LIG 1 -2.570 0.187 0.663 0.00 0.00 +0.303 C ATOM 9 N LIG 1 -2.550 -0.248 -0.638 0.00 0.00 -0.295 N ATOM 10 H LIG 1 -1.720 -0.075 -1.177 0.00 0.00 +0.151 HD ATOM 11 O LIG 1 -3.621 0.394 1.261 0.00 0.00 -0.253 OA ATOM 12 C LIG 1 0.274 0.787 2.762 0.00 0.00 +0.066 A ATOM 13 N LIG 1 1.211 1.065 3.686 0.00 0.00 -0.277 N ATOM 14 H LIG 1 1.109 1.412 4.635 0.00 0.00 +0.189 HD ATOM 15 N LIG 1 2.456 0.821 3.214 0.00 0.00 -0.158 NA ENDROOT BRANCH 1 16 ATOM 16 N LIG 1 3.224 -0.001 1.068 0.00 0.00 -0.283 N ATOM 17 H LIG 1 2.958 -0.325 0.148 0.00 0.00 +0.155 HD BRANCH 16 21 ATOM 18 C LIG 1 7.392 -0.236 1.043 0.00 0.00 +0.052 A ATOM 19 C LIG 1 6.561 -0.583 -0.017 0.00 0.00 +0.136 A ATOM 20 N LIG 1 5.206 -0.504 -0.002 0.00 0.00 -0.238 NA ATOM 21 C LIG 1 4.615 -0.055 1.128 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.369 0.311 2.235 0.00 0.00 +0.045 A ATOM 23 C LIG 1 6.766 0.219 2.193 0.00 0.00 +0.028 A BRANCH 18 25 ATOM 24 C LIG 1 9.760 -0.036 1.800 0.00 0.00 +0.241 C ATOM 25 N LIG 1 8.788 -0.375 0.887 0.00 0.00 -0.281 N ATOM 26 H LIG 1 9.104 -0.719 -0.009 0.00 0.00 +0.155 HD ATOM 27 O LIG 1 9.607 0.507 2.886 0.00 0.00 -0.271 OA BRANCH 24 29 ATOM 28 C LIG 1 11.514 -1.364 0.583 0.00 0.00 +0.013 C ATOM 29 C LIG 1 11.149 -0.321 1.342 0.00 0.00 +0.060 C ENDBRANCH 24 29 ENDBRANCH 18 25 ENDBRANCH 16 21 ENDBRANCH 1 16 BRANCH 9 30 ATOM 30 C LIG 1 -3.784 -0.468 -1.413 0.00 0.00 +0.092 C BRANCH 30 31 ATOM 31 C LIG 1 -4.016 0.719 -2.394 0.00 0.00 +0.015 C ATOM 32 C LIG 1 -5.290 0.563 -3.247 0.00 0.00 +0.033 C ATOM 33 C LIG 1 -5.840 1.894 -3.752 0.00 0.00 +0.160 C ATOM 34 O LIG 1 -4.783 2.829 -3.925 0.00 0.00 -0.380 OA ATOM 35 C LIG 1 -4.218 3.231 -2.678 0.00 0.00 +0.160 C ATOM 36 C LIG 1 -4.073 2.080 -1.680 0.00 0.00 +0.033 C ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -3.651 -1.855 -2.116 0.00 0.00 +0.106 C BRANCH 37 38 ATOM 38 N LIG 1 -4.873 -2.423 -2.714 0.00 0.00 -0.307 NA ATOM 39 C LIG 1 -4.534 -3.568 -3.564 0.00 0.00 +0.104 C ATOM 40 C LIG 1 -5.829 -2.843 -1.685 0.00 0.00 +0.104 C ENDBRANCH 37 38 ENDBRANCH 30 37 ENDBRANCH 9 30 TORSDOF 8