REMARK Name = BDB061416 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.264 -0.318 -2.535 0.00 0.00 +0.200 C ENDROOT BRANCH 1 3 ATOM 2 C LIG 1 -1.565 -1.361 -0.695 0.00 0.00 +0.250 C ATOM 3 N LIG 1 -1.252 -0.280 -1.470 0.00 0.00 -0.303 N ATOM 4 H LIG 1 -1.771 0.589 -1.328 0.00 0.00 +0.150 HD ATOM 5 O LIG 1 -0.927 -2.412 -0.775 0.00 0.00 -0.270 OA BRANCH 2 11 ATOM 6 C LIG 1 -5.884 -0.958 3.202 0.00 0.00 +0.063 C ATOM 7 C LIG 1 -4.800 -1.020 2.160 0.00 0.00 +0.019 A ATOM 8 N LIG 1 -4.518 0.090 1.354 0.00 0.00 -0.308 N ATOM 9 C LIG 1 -3.454 0.092 0.435 0.00 0.00 +0.264 A ATOM 10 O LIG 1 -3.138 1.081 -0.230 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -2.685 -1.181 0.276 0.00 0.00 +0.101 A ATOM 12 C LIG 1 -3.018 -2.229 1.046 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -4.077 -2.143 2.014 0.00 0.00 +0.022 A BRANCH 8 14 ATOM 14 C LIG 1 -5.293 1.331 1.437 0.00 0.00 +0.160 C BRANCH 14 15 ATOM 15 C LIG 1 -6.217 1.534 0.250 0.00 0.00 -0.025 A ATOM 16 C LIG 1 -7.224 0.606 -0.057 0.00 0.00 +0.046 A ATOM 17 C LIG 1 -8.064 0.819 -1.148 0.00 0.00 +0.159 A ATOM 18 F LIG 1 -9.018 -0.081 -1.424 0.00 0.00 -0.202 F ATOM 19 C LIG 1 -7.918 1.949 -1.940 0.00 0.00 +0.158 A ATOM 20 F LIG 1 -8.728 2.150 -2.988 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -6.928 2.881 -1.654 0.00 0.00 +0.041 A ATOM 22 C LIG 1 -6.081 2.675 -0.562 0.00 0.00 +0.008 A ENDBRANCH 14 15 ENDBRANCH 8 14 ENDBRANCH 2 11 ENDBRANCH 1 3 BRANCH 1 23 ATOM 23 C LIG 1 1.178 -0.170 -2.028 0.00 0.00 +0.234 C ATOM 24 N LIG 1 1.546 -1.180 -1.155 0.00 0.00 -0.284 N ATOM 25 H LIG 1 0.822 -1.874 -0.962 0.00 0.00 +0.155 HD ATOM 26 O LIG 1 1.902 0.731 -2.443 0.00 0.00 -0.274 OA BRANCH 24 27 ATOM 27 C LIG 1 2.784 -1.366 -0.510 0.00 0.00 +0.034 A ATOM 28 C LIG 1 3.872 -0.496 -0.655 0.00 0.00 +0.033 A ATOM 29 C LIG 1 5.045 -0.778 0.032 0.00 0.00 +0.010 A ATOM 30 C LIG 1 6.356 -0.103 0.116 0.00 0.00 +0.048 C ATOM 31 C LIG 1 7.197 -0.942 1.049 0.00 0.00 +0.249 C ATOM 32 N LIG 1 6.385 -1.994 1.435 0.00 0.00 -0.281 N ATOM 33 H LIG 1 6.693 -2.720 2.064 0.00 0.00 +0.155 HD ATOM 34 O LIG 1 8.347 -0.755 1.402 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 6.646 1.031 -0.544 0.00 0.00 +0.041 C ATOM 36 C LIG 1 5.129 -1.907 0.848 0.00 0.00 +0.042 A ATOM 37 C LIG 1 4.079 -2.783 1.013 0.00 0.00 +0.026 A ATOM 38 C LIG 1 2.896 -2.501 0.323 0.00 0.00 +0.025 A BRANCH 35 39 ATOM 39 C LIG 1 7.851 1.778 -0.551 0.00 0.00 +0.059 A ATOM 40 N LIG 1 8.979 1.437 0.152 0.00 0.00 -0.345 N ATOM 41 H LIG 1 9.096 0.628 0.754 0.00 0.00 +0.167 HD ATOM 42 C LIG 1 9.936 2.381 -0.092 0.00 0.00 +0.196 A ATOM 43 N LIG 1 9.501 3.310 -0.909 0.00 0.00 -0.244 NA ATOM 44 C LIG 1 8.211 2.946 -1.200 0.00 0.00 +0.138 A ENDBRANCH 35 39 ENDBRANCH 24 27 ENDBRANCH 1 23 TORSDOF 7