REMARK Name = BDB004796 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.019 -0.310 1.198 0.00 0.00 +0.119 C ENDROOT BRANCH 1 4 ATOM 2 C LIG 1 1.694 -0.757 2.050 0.00 0.00 +0.034 A ATOM 3 C LIG 1 0.492 -0.580 1.349 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -0.748 -0.530 2.013 0.00 0.00 -0.024 A ATOM 5 C LIG 1 -0.762 -0.639 3.410 0.00 0.00 +0.005 A ATOM 6 C LIG 1 0.429 -0.819 4.114 0.00 0.00 +0.002 A ATOM 7 C LIG 1 1.649 -0.880 3.437 0.00 0.00 +0.023 A BRANCH 2 9 ATOM 8 C LIG 1 4.176 -0.956 1.739 0.00 0.00 +0.251 C ATOM 9 N LIG 1 2.879 -0.794 1.286 0.00 0.00 -0.281 N ATOM 10 H LIG 1 2.752 -0.684 0.286 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 4.512 -1.102 2.910 0.00 0.00 -0.270 OA BRANCH 8 16 ATOM 12 C LIG 1 7.364 -0.958 -1.174 0.00 0.00 +0.123 A ATOM 13 C LIG 1 6.043 -0.801 -1.593 0.00 0.00 +0.084 A ATOM 14 C LIG 1 5.003 -0.798 -0.664 0.00 0.00 +0.139 A ATOM 15 F LIG 1 3.751 -0.644 -1.126 0.00 0.00 -0.205 F ATOM 16 C LIG 1 5.252 -0.951 0.700 0.00 0.00 +0.072 A ATOM 17 C LIG 1 6.583 -1.108 1.116 0.00 0.00 +0.019 A ATOM 18 C LIG 1 7.632 -1.111 0.186 0.00 0.00 +0.046 A BRANCH 12 20 ATOM 19 C LIG 1 9.652 -1.096 -1.807 0.00 0.00 +0.277 C ATOM 20 O LIG 1 8.288 -0.943 -2.180 0.00 0.00 -0.495 OA ENDBRANCH 12 20 ENDBRANCH 8 16 ENDBRANCH 2 9 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 N LIG 1 -2.425 1.102 1.326 0.00 0.00 -0.320 N ATOM 22 H LIG 1 -2.125 1.486 2.219 0.00 0.00 +0.148 HD BRANCH 21 23 ATOM 23 C LIG 1 -2.025 1.991 0.305 0.00 0.00 +0.130 A ATOM 24 C LIG 1 -2.399 3.350 0.392 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -1.966 4.194 -0.650 0.00 0.00 +0.088 A ATOM 26 C LIG 1 -2.316 5.559 -0.574 0.00 0.00 +0.063 A ATOM 27 C LIG 1 -3.081 6.061 0.497 0.00 0.00 +0.015 A ATOM 28 C LIG 1 -3.517 5.220 1.507 0.00 0.00 +0.002 A ATOM 29 N LIG 1 -1.248 3.692 -1.680 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 -0.978 2.383 -1.677 0.00 0.00 +0.223 A ATOM 31 C LIG 1 -3.180 3.875 1.453 0.00 0.00 +0.013 A ATOM 32 N LIG 1 -1.330 1.510 -0.735 0.00 0.00 -0.220 NA BRANCH 26 33 ATOM 33 C LIG 1 -1.915 6.569 -1.604 0.00 0.00 +0.244 C ATOM 34 O LIG 1 -2.249 7.746 -1.514 0.00 0.00 -0.270 OA ATOM 35 N LIG 1 -1.160 6.157 -2.662 0.00 0.00 -0.325 N ATOM 36 H LIG 1 -0.909 6.825 -3.376 0.00 0.00 +0.145 HD ATOM 37 H LIG 1 -0.903 5.180 -2.768 0.00 0.00 +0.145 HD ENDBRANCH 26 33 ENDBRANCH 21 23 ENDBRANCH 1 21 BRANCH 1 38 ATOM 38 C LIG 1 -3.188 -1.229 1.667 0.00 0.00 +0.137 C BRANCH 38 39 ATOM 39 N LIG 1 -4.300 -1.319 0.709 0.00 0.00 -0.268 N ATOM 40 C LIG 1 -4.181 -2.054 -0.462 0.00 0.00 +0.403 C ATOM 41 O LIG 1 -4.989 -2.013 -1.380 0.00 0.00 -0.226 OA ATOM 42 C LIG 1 -5.331 -0.302 0.769 0.00 0.00 +0.135 C BRANCH 40 43 ATOM 43 O LIG 1 -3.053 -2.813 -0.467 0.00 0.00 -0.445 OA BRANCH 43 44 ATOM 44 C LIG 1 -2.695 -3.621 -1.616 0.00 0.00 +0.107 C ATOM 45 C LIG 1 -3.734 -4.716 -1.876 0.00 0.00 +0.055 C ATOM 46 C LIG 1 -1.368 -4.286 -1.220 0.00 0.00 +0.055 C ATOM 47 C LIG 1 -2.453 -2.750 -2.854 0.00 0.00 +0.055 C ENDBRANCH 43 44 ENDBRANCH 40 43 ENDBRANCH 38 39 ENDBRANCH 1 38 TORSDOF 11