REMARK Name = BDB060763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.175 0.032 0.174 0.00 0.00 -0.284 N ATOM 2 H LIG 1 -1.597 0.569 0.917 0.00 0.00 +0.155 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 3.099 0.083 0.101 0.00 0.00 +0.030 A ATOM 4 C LIG 1 2.365 -0.668 -0.826 0.00 0.00 +0.025 A ATOM 5 C LIG 1 0.959 -0.703 -0.818 0.00 0.00 +0.025 A ATOM 6 C LIG 1 0.220 0.016 0.117 0.00 0.00 +0.034 A ATOM 7 C LIG 1 0.942 0.779 1.041 0.00 0.00 +0.025 A ATOM 8 C LIG 1 2.345 0.810 1.032 0.00 0.00 +0.025 A BRANCH 3 14 ATOM 9 C LIG 1 9.551 0.608 -0.940 0.00 0.00 +0.109 C ATOM 10 C LIG 1 8.787 0.200 0.294 0.00 0.00 +0.213 C ATOM 11 N LIG 1 7.415 0.077 0.170 0.00 0.00 -0.299 N ATOM 12 C LIG 1 6.673 0.269 -1.080 0.00 0.00 +0.126 C ATOM 13 C LIG 1 5.263 -0.352 -1.059 0.00 0.00 +0.124 C ATOM 14 N LIG 1 4.485 0.126 0.094 0.00 0.00 -0.327 N ATOM 15 C LIG 1 5.227 0.405 1.340 0.00 0.00 +0.124 C ATOM 16 C LIG 1 6.616 -0.259 1.350 0.00 0.00 +0.126 C ATOM 17 O LIG 1 9.381 -0.015 1.351 0.00 0.00 -0.276 OA ENDBRANCH 3 14 ENDBRANCH 1 6 BRANCH 1 18 ATOM 18 C LIG 1 -2.183 -0.600 -0.547 0.00 0.00 +0.220 A ATOM 19 N LIG 1 -3.428 -0.317 -0.135 0.00 0.00 -0.214 NA ATOM 20 C LIG 1 -4.455 -0.907 -0.780 0.00 0.00 +0.078 A ATOM 21 C LIG 1 -4.271 -1.768 -1.838 0.00 0.00 +0.048 A ATOM 22 C LIG 1 -2.967 -1.992 -2.193 0.00 0.00 +0.116 A ATOM 23 N LIG 1 -1.920 -1.426 -1.569 0.00 0.00 -0.223 NA BRANCH 20 24 ATOM 24 C LIG 1 -5.787 -0.570 -0.289 0.00 0.00 +0.027 A ATOM 25 C LIG 1 -6.240 0.631 0.348 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -7.591 0.459 0.642 0.00 0.00 +0.141 A ATOM 27 N LIG 1 -8.418 1.343 1.238 0.00 0.00 -0.237 NA ATOM 28 C LIG 1 -7.807 2.505 1.562 0.00 0.00 +0.113 A ATOM 29 C LIG 1 -6.475 2.813 1.328 0.00 0.00 +0.020 A ATOM 30 N LIG 1 -7.953 -0.791 0.216 0.00 0.00 -0.334 N ATOM 31 C LIG 1 -9.279 -1.345 0.358 0.00 0.00 +0.150 C ATOM 32 C LIG 1 -5.663 1.864 0.707 0.00 0.00 +0.014 A ATOM 33 C LIG 1 -6.876 -1.427 -0.349 0.00 0.00 +0.098 A ENDBRANCH 20 24 ENDBRANCH 1 18 TORSDOF 4