REMARK Name = BDB040907 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.504 -0.943 1.306 0.00 0.00 -0.254 N ATOM 2 C LIG 1 2.251 -0.269 0.322 0.00 0.00 +0.135 A ATOM 3 C LIG 1 1.706 0.584 -0.619 0.00 0.00 +0.025 A ATOM 4 C LIG 1 2.803 1.258 -1.195 0.00 0.00 +0.066 A ATOM 5 N LIG 1 3.957 0.852 -0.659 0.00 0.00 -0.170 NA ATOM 6 C LIG 1 2.794 2.339 -2.212 0.00 0.00 +0.068 C ATOM 7 C LIG 1 0.242 0.720 -0.833 0.00 0.00 +0.085 C ATOM 8 C LIG 1 -0.478 -0.491 -0.202 0.00 0.00 +0.172 C ATOM 9 N LIG 1 3.630 -0.222 0.114 0.00 0.00 -0.218 N ATOM 10 C LIG 1 0.101 -0.856 1.189 0.00 0.00 +0.242 C ATOM 11 O LIG 1 -0.667 -1.111 2.125 0.00 0.00 -0.273 OA ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 -0.167 2.079 -0.291 0.00 0.00 -0.019 A ATOM 13 C LIG 1 0.068 2.503 1.018 0.00 0.00 +0.118 A ATOM 14 N LIG 1 -0.324 3.696 1.521 0.00 0.00 -0.227 NA ATOM 15 C LIG 1 -0.988 4.516 0.683 0.00 0.00 +0.213 A ATOM 16 F LIG 1 -1.387 5.702 1.162 0.00 0.00 -0.184 F ATOM 17 C LIG 1 -1.283 4.202 -0.630 0.00 0.00 +0.059 A ATOM 18 C LIG 1 -0.870 2.967 -1.120 0.00 0.00 +0.010 A ENDBRANCH 7 12 BRANCH 9 19 ATOM 19 C LIG 1 4.647 -1.154 0.454 0.00 0.00 +0.067 A ATOM 20 C LIG 1 4.345 -2.505 0.657 0.00 0.00 +0.028 A ATOM 21 C LIG 1 5.362 -3.410 0.971 0.00 0.00 +0.002 A ATOM 22 C LIG 1 6.683 -2.974 1.064 0.00 0.00 +0.000 A ATOM 23 C LIG 1 6.994 -1.637 0.827 0.00 0.00 +0.002 A ATOM 24 C LIG 1 5.982 -0.728 0.511 0.00 0.00 +0.028 A ENDBRANCH 9 19 BRANCH 8 25 ATOM 25 N LIG 1 -1.927 -0.323 -0.077 0.00 0.00 -0.299 N ATOM 26 H LIG 1 -2.323 -0.554 0.831 0.00 0.00 +0.150 HD ATOM 27 C LIG 1 -2.742 -0.206 -1.177 0.00 0.00 +0.245 C ATOM 28 O LIG 1 -2.305 -0.184 -2.323 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -4.204 -0.118 -0.917 0.00 0.00 +0.037 A ATOM 30 C LIG 1 -5.085 -0.539 -1.923 0.00 0.00 +0.016 A ATOM 31 C LIG 1 -6.472 -0.465 -1.734 0.00 0.00 -0.050 A ATOM 32 C LIG 1 -7.409 -0.954 -2.798 0.00 0.00 +0.044 C ATOM 33 C LIG 1 -6.967 0.021 -0.518 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -6.094 0.457 0.480 0.00 0.00 +0.001 A ATOM 35 C LIG 1 -4.714 0.394 0.281 0.00 0.00 +0.013 A ENDBRANCH 27 29 ENDBRANCH 8 25 BRANCH 1 37 ATOM 36 C LIG 1 1.769 -2.704 3.074 0.00 0.00 +0.025 C ATOM 37 C LIG 1 2.036 -1.268 2.638 0.00 0.00 +0.112 C ENDBRANCH 1 37 TORSDOF 5