REMARK Name = BDB036160 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.800 -1.353 -2.529 0.00 0.00 +0.280 A ATOM 2 C LIG 1 -2.576 -1.986 -2.755 0.00 0.00 +0.187 A ATOM 3 N LIG 1 -2.491 -2.974 -3.675 0.00 0.00 -0.214 NA ATOM 4 C LIG 1 -3.635 -3.290 -4.302 0.00 0.00 +0.247 A ATOM 5 N LIG 1 -4.838 -2.717 -4.093 0.00 0.00 -0.134 NA ATOM 6 N LIG 1 -4.928 -1.731 -3.177 0.00 0.00 -0.106 NA ENDROOT BRANCH 2 7 ATOM 7 N LIG 1 -1.391 -1.604 -2.092 0.00 0.00 -0.310 N ATOM 8 C LIG 1 -0.214 -2.415 -1.980 0.00 0.00 +0.115 C ATOM 9 C LIG 1 0.247 -1.455 -0.854 0.00 0.00 +0.004 C ATOM 10 C LIG 1 1.114 -0.268 -1.314 0.00 0.00 +0.025 C ATOM 11 C LIG 1 2.568 -0.500 -0.908 0.00 0.00 +0.085 C ATOM 12 N LIG 1 2.719 -0.539 0.556 0.00 0.00 -0.302 NA ATOM 13 C LIG 1 1.579 -1.175 1.243 0.00 0.00 +0.085 C ATOM 14 C LIG 1 0.834 -2.177 0.364 0.00 0.00 +0.025 C ATOM 15 C LIG 1 -1.260 -1.100 -0.754 0.00 0.00 +0.115 C BRANCH 12 16 ATOM 16 C LIG 1 4.004 -1.117 0.983 0.00 0.00 +0.088 C BRANCH 16 17 ATOM 17 C LIG 1 5.247 -0.344 0.483 0.00 0.00 +0.006 C ATOM 18 C LIG 1 6.576 -0.992 0.959 0.00 0.00 -0.006 C ATOM 19 C LIG 1 7.737 -0.309 0.202 0.00 0.00 +0.015 C ATOM 20 C LIG 1 7.724 1.227 0.472 0.00 0.00 +0.018 C ATOM 21 C LIG 1 6.596 1.554 1.483 0.00 0.00 -0.001 C ATOM 22 C LIG 1 6.799 0.742 2.777 0.00 0.00 +0.004 C ATOM 23 C LIG 1 7.604 2.010 -0.836 0.00 0.00 +0.131 C ATOM 24 C LIG 1 9.030 2.095 -1.297 0.00 0.00 +0.308 C ATOM 25 O LIG 1 9.394 2.366 -2.429 0.00 0.00 -0.251 OA ATOM 26 O LIG 1 9.873 1.857 -0.250 0.00 0.00 -0.464 OA ATOM 27 C LIG 1 9.096 1.709 0.939 0.00 0.00 +0.239 C ATOM 28 C LIG 1 6.798 -0.758 2.464 0.00 0.00 +0.004 C ATOM 29 C LIG 1 5.229 1.144 0.900 0.00 0.00 +0.009 C ENDBRANCH 16 17 ENDBRANCH 12 16 ENDBRANCH 2 7 BRANCH 1 30 ATOM 30 O LIG 1 -3.902 -0.374 -1.567 0.00 0.00 -0.434 OA BRANCH 30 32 ATOM 31 C LIG 1 -4.986 1.586 -0.802 0.00 0.00 +0.082 A ATOM 32 C LIG 1 -4.520 0.816 -1.881 0.00 0.00 +0.143 A ATOM 33 C LIG 1 -4.636 1.326 -3.181 0.00 0.00 +0.050 A ATOM 34 C LIG 1 -5.210 2.584 -3.389 0.00 0.00 +0.042 A ATOM 35 C LIG 1 -5.639 3.340 -2.302 0.00 0.00 +0.124 A ATOM 36 F LIG 1 -6.161 4.555 -2.511 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -5.516 2.863 -1.005 0.00 0.00 +0.055 A BRANCH 31 39 ATOM 38 N LIG 1 -5.795 0.600 1.352 0.00 0.00 -0.292 N ATOM 39 C LIG 1 -4.754 1.136 0.578 0.00 0.00 +0.251 C ATOM 40 O LIG 1 -3.604 1.291 0.990 0.00 0.00 -0.270 OA BRANCH 38 42 ATOM 41 C LIG 1 -6.423 0.831 3.775 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -5.441 0.255 2.751 0.00 0.00 +0.070 C ATOM 43 C LIG 1 -5.256 -1.255 2.924 0.00 0.00 +0.028 C ENDBRANCH 38 42 BRANCH 38 44 ATOM 44 C LIG 1 -7.143 0.192 0.870 0.00 0.00 +0.070 C ATOM 45 C LIG 1 -7.116 -0.842 -0.255 0.00 0.00 +0.028 C ATOM 46 C LIG 1 -8.060 1.369 0.543 0.00 0.00 +0.028 C ENDBRANCH 38 44 ENDBRANCH 31 39 ENDBRANCH 30 32 ENDBRANCH 1 30 TORSDOF 8