REMARK Name = BDB063407 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.036 -0.682 0.352 0.00 0.00 +0.037 A ATOM 2 C LIG 1 3.260 -1.001 1.468 0.00 0.00 +0.015 A ATOM 3 C LIG 1 1.866 -1.050 1.361 0.00 0.00 +0.024 A ATOM 4 C LIG 1 1.215 -0.801 0.142 0.00 0.00 +0.034 A ATOM 5 C LIG 1 2.010 -0.491 -0.967 0.00 0.00 +0.024 A ATOM 6 C LIG 1 3.408 -0.441 -0.873 0.00 0.00 +0.015 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 6.138 0.347 -0.254 0.00 0.00 -0.252 N ATOM 8 H LIG 1 5.574 1.005 -0.770 0.00 0.00 +0.158 HD ATOM 9 C LIG 1 5.518 -0.631 0.502 0.00 0.00 +0.250 C ATOM 10 O LIG 1 6.045 -1.412 1.286 0.00 0.00 -0.270 OA BRANCH 7 16 ATOM 11 C LIG 1 10.925 -0.051 0.461 0.00 0.00 +0.064 A ATOM 12 C LIG 1 9.628 0.326 0.066 0.00 0.00 +0.103 A ATOM 13 C LIG 1 9.464 1.423 -0.775 0.00 0.00 +0.068 A ATOM 14 N LIG 1 8.106 1.511 -0.955 0.00 0.00 -0.326 N ATOM 15 H LIG 1 7.634 2.203 -1.515 0.00 0.00 +0.169 HD ATOM 16 C LIG 1 7.502 0.503 -0.247 0.00 0.00 +0.201 A ATOM 17 C LIG 1 10.528 2.185 -1.262 0.00 0.00 +0.028 A ATOM 18 C LIG 1 11.813 1.799 -0.864 0.00 0.00 +0.003 A ATOM 19 N LIG 1 8.401 -0.222 0.372 0.00 0.00 -0.214 NA ATOM 20 C LIG 1 12.012 0.704 -0.018 0.00 0.00 +0.015 A BRANCH 11 24 ATOM 21 N LIG 1 10.080 -1.892 1.810 0.00 0.00 -0.325 N ATOM 22 H LIG 1 9.130 -1.631 1.538 0.00 0.00 +0.145 HD ATOM 23 H LIG 1 10.209 -2.692 2.411 0.00 0.00 +0.145 HD ATOM 24 C LIG 1 11.169 -1.206 1.356 0.00 0.00 +0.244 C ATOM 25 O LIG 1 12.306 -1.533 1.677 0.00 0.00 -0.270 OA ENDBRANCH 11 24 ENDBRANCH 7 16 ENDBRANCH 1 9 BRANCH 4 26 ATOM 26 N LIG 1 -0.182 -0.838 0.112 0.00 0.00 -0.284 N ATOM 27 H LIG 1 -0.648 -1.210 0.927 0.00 0.00 +0.155 HD BRANCH 26 28 ATOM 28 C LIG 1 -1.139 -0.599 -0.871 0.00 0.00 +0.221 A ATOM 29 N LIG 1 -2.402 -0.876 -0.504 0.00 0.00 -0.199 NA ATOM 30 C LIG 1 -3.405 -0.665 -1.378 0.00 0.00 +0.126 A ATOM 31 C LIG 1 -3.132 -0.193 -2.645 0.00 0.00 +0.063 A ATOM 32 C LIG 1 -1.817 0.067 -2.943 0.00 0.00 +0.118 A ATOM 33 N LIG 1 -0.812 -0.118 -2.076 0.00 0.00 -0.223 NA BRANCH 30 34 ATOM 34 N LIG 1 -4.704 -0.973 -0.990 0.00 0.00 -0.312 N ATOM 35 C LIG 1 -4.860 -1.662 0.303 0.00 0.00 +0.125 C ATOM 36 C LIG 1 -6.324 -2.069 0.529 0.00 0.00 +0.127 C ATOM 37 N LIG 1 -7.240 -0.926 0.481 0.00 0.00 -0.295 N ATOM 38 C LIG 1 -8.517 -1.091 1.004 0.00 0.00 +0.247 C ATOM 39 O LIG 1 -8.941 -2.169 1.415 0.00 0.00 -0.270 OA ATOM 40 C LIG 1 -6.785 0.237 -0.291 0.00 0.00 +0.127 C ATOM 41 C LIG 1 -5.825 -0.131 -1.441 0.00 0.00 +0.125 C BRANCH 38 42 ATOM 42 C LIG 1 -9.418 0.080 1.077 0.00 0.00 +0.037 A ATOM 43 C LIG 1 -9.025 1.246 1.744 0.00 0.00 +0.013 A ATOM 44 C LIG 1 -9.900 2.331 1.812 0.00 0.00 +0.001 A ATOM 45 C LIG 1 -11.165 2.246 1.228 0.00 0.00 +0.000 A ATOM 46 C LIG 1 -11.565 1.073 0.583 0.00 0.00 +0.001 A ATOM 47 C LIG 1 -10.695 -0.015 0.513 0.00 0.00 +0.013 A ENDBRANCH 38 42 ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 26 TORSDOF 7