REMARK Name = BDB022663 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.450 -0.382 2.108 0.00 0.00 -0.309 N ATOM 2 H LIG 1 -0.755 -1.106 1.921 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 6 ATOM 3 C LIG 1 -3.567 -2.998 -0.954 0.00 0.00 +0.019 A ATOM 4 C LIG 1 -3.756 -1.775 -0.339 0.00 0.00 +0.166 A ATOM 5 N LIG 1 -2.694 -1.617 0.501 0.00 0.00 -0.183 N ATOM 6 C LIG 1 -2.557 -0.466 1.286 0.00 0.00 +0.221 A ATOM 7 N LIG 1 -3.477 0.451 1.192 0.00 0.00 -0.181 NA ATOM 8 C LIG 1 -4.538 0.254 0.332 0.00 0.00 +0.220 A ATOM 9 N LIG 1 -1.801 -2.633 0.484 0.00 0.00 -0.170 NA ATOM 10 N LIG 1 -4.702 -0.807 -0.414 0.00 0.00 -0.195 NA ATOM 11 C LIG 1 -2.345 -3.475 -0.403 0.00 0.00 +0.141 A BRANCH 3 13 ATOM 12 C LIG 1 -5.006 -4.985 -1.457 0.00 0.00 +0.012 C ATOM 13 C LIG 1 -4.452 -3.654 -1.969 0.00 0.00 +0.018 C ATOM 14 C LIG 1 -3.731 -3.851 -3.304 0.00 0.00 +0.012 C ENDBRANCH 3 13 BRANCH 8 15 ATOM 15 N LIG 1 -5.441 1.278 0.322 0.00 0.00 -0.310 N ATOM 16 H LIG 1 -5.297 1.914 1.095 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 -6.797 1.149 -0.193 0.00 0.00 +0.077 C ATOM 18 C LIG 1 -7.690 0.393 0.793 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -8.072 1.261 1.982 0.00 0.00 +0.161 C ATOM 20 O LIG 1 -8.678 2.476 1.543 0.00 0.00 -0.380 OA ATOM 21 C LIG 1 -7.787 3.271 0.764 0.00 0.00 +0.161 C ATOM 22 C LIG 1 -7.370 2.534 -0.501 0.00 0.00 +0.050 C ENDBRANCH 15 17 ENDBRANCH 8 15 ENDBRANCH 1 6 BRANCH 1 23 ATOM 23 C LIG 1 -0.903 0.879 2.549 0.00 0.00 +0.140 C BRANCH 23 24 ATOM 24 C LIG 1 0.014 1.444 1.492 0.00 0.00 -0.026 A ATOM 25 C LIG 1 1.384 1.120 1.491 0.00 0.00 +0.028 A ATOM 26 C LIG 1 2.242 1.610 0.500 0.00 0.00 +0.037 A ATOM 27 C LIG 1 1.718 2.432 -0.501 0.00 0.00 +0.061 A ATOM 28 C LIG 1 0.362 2.746 -0.505 0.00 0.00 +0.125 A ATOM 29 F LIG 1 -0.125 3.532 -1.475 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -0.492 2.260 0.474 0.00 0.00 +0.043 A BRANCH 26 31 ATOM 31 N LIG 1 3.624 1.329 0.446 0.00 0.00 -0.282 N ATOM 32 H LIG 1 4.127 1.731 -0.334 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 4.348 0.522 1.296 0.00 0.00 +0.241 C ATOM 34 O LIG 1 3.925 -0.151 2.227 0.00 0.00 -0.271 OA BRANCH 33 35 ATOM 35 C LIG 1 5.795 0.446 0.960 0.00 0.00 +0.064 C ATOM 36 C LIG 1 6.537 1.495 0.562 0.00 0.00 -0.007 C BRANCH 36 37 ATOM 37 C LIG 1 8.015 1.473 0.269 0.00 0.00 +0.112 C BRANCH 37 38 ATOM 38 N LIG 1 8.583 0.145 0.015 0.00 0.00 -0.294 NA ATOM 39 C LIG 1 10.059 0.147 0.129 0.00 0.00 +0.113 C ATOM 40 C LIG 1 10.780 0.270 -1.223 0.00 0.00 +0.175 C ATOM 41 O LIG 1 10.463 -0.793 -2.131 0.00 0.00 -0.377 OA ATOM 42 C LIG 1 9.185 -1.390 -1.874 0.00 0.00 +0.175 C ATOM 43 C LIG 1 8.172 -0.381 -1.310 0.00 0.00 +0.113 C ENDBRANCH 37 38 ENDBRANCH 36 37 ENDBRANCH 33 35 ENDBRANCH 26 31 ENDBRANCH 23 24 ENDBRANCH 1 23 TORSDOF 10