REMARK Name = BDB004610 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.023 -0.653 -2.767 0.00 0.00 -0.324 N ATOM 2 H LIG 1 1.557 0.182 -2.541 0.00 0.00 +0.148 HD ENDROOT BRANCH 1 11 ATOM 3 C LIG 1 4.699 -1.690 -0.856 0.00 0.00 +0.122 A ATOM 4 C LIG 1 3.508 -1.358 -1.490 0.00 0.00 +0.059 A ATOM 5 C LIG 1 2.256 -1.854 -1.046 0.00 0.00 +0.044 A ATOM 6 C LIG 1 2.200 -2.730 0.053 0.00 0.00 +0.088 A ATOM 7 N LIG 1 1.016 -3.234 0.464 0.00 0.00 -0.235 NA ATOM 8 C LIG 1 -0.083 -2.883 -0.212 0.00 0.00 +0.223 A ATOM 9 N LIG 1 -0.135 -2.052 -1.250 0.00 0.00 -0.220 NA ATOM 10 C LIG 1 3.417 -3.054 0.689 0.00 0.00 +0.066 A ATOM 11 C LIG 1 1.028 -1.522 -1.659 0.00 0.00 +0.130 A ATOM 12 C LIG 1 4.650 -2.536 0.239 0.00 0.00 +0.060 A BRANCH 10 13 ATOM 13 C LIG 1 3.503 -3.965 1.875 0.00 0.00 +0.244 C ATOM 14 O LIG 1 4.580 -4.247 2.390 0.00 0.00 -0.270 OA ATOM 15 N LIG 1 2.352 -4.486 2.383 0.00 0.00 -0.325 N ATOM 16 H LIG 1 1.455 -4.294 1.946 0.00 0.00 +0.145 HD ATOM 17 H LIG 1 2.405 -5.124 3.164 0.00 0.00 +0.145 HD ENDBRANCH 10 13 BRANCH 3 19 ATOM 18 C LIG 1 7.064 -1.455 -0.788 0.00 0.00 +0.277 C ATOM 19 O LIG 1 5.819 -1.129 -1.397 0.00 0.00 -0.495 OA ENDBRANCH 3 19 ENDBRANCH 1 11 BRANCH 1 20 ATOM 20 C LIG 1 -0.266 -0.295 -3.349 0.00 0.00 +0.138 C BRANCH 20 21 ATOM 21 C LIG 1 -0.765 1.009 -2.771 0.00 0.00 -0.029 A ATOM 22 C LIG 1 -1.590 1.018 -1.635 0.00 0.00 +0.028 A ATOM 23 C LIG 1 -2.033 2.221 -1.067 0.00 0.00 +0.034 A ATOM 24 C LIG 1 -1.645 3.426 -1.653 0.00 0.00 +0.023 A ATOM 25 C LIG 1 -0.818 3.431 -2.780 0.00 0.00 +0.002 A ATOM 26 C LIG 1 -0.376 2.231 -3.334 0.00 0.00 +0.005 A BRANCH 23 27 ATOM 27 N LIG 1 -2.862 2.128 0.071 0.00 0.00 -0.281 N ATOM 28 H LIG 1 -3.055 1.188 0.390 0.00 0.00 +0.155 HD ATOM 29 C LIG 1 -3.349 3.168 0.840 0.00 0.00 +0.248 C ATOM 30 O LIG 1 -3.099 4.361 0.716 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 -4.243 2.753 1.959 0.00 0.00 +0.037 A ATOM 32 C LIG 1 -4.181 3.468 3.164 0.00 0.00 +0.016 A ATOM 33 C LIG 1 -5.004 3.110 4.233 0.00 0.00 +0.039 A ATOM 34 C LIG 1 -5.891 2.048 4.089 0.00 0.00 +0.123 A ATOM 35 F LIG 1 -6.681 1.705 5.114 0.00 0.00 -0.205 F ATOM 36 C LIG 1 -5.976 1.341 2.894 0.00 0.00 +0.039 A ATOM 37 C LIG 1 -5.154 1.694 1.821 0.00 0.00 +0.016 A ENDBRANCH 29 31 ENDBRANCH 23 27 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 7