REMARK Name = BDB017425 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.797 1.092 0.090 0.00 0.00 +0.039 A ATOM 2 C LIG 1 -0.397 0.503 -0.350 0.00 0.00 +0.036 A ATOM 3 C LIG 1 -1.509 0.461 0.492 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -1.416 1.033 1.769 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -0.232 1.635 2.204 0.00 0.00 +0.003 A ATOM 6 C LIG 1 0.878 1.667 1.365 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 3.165 0.779 -0.237 0.00 0.00 -0.281 N ATOM 8 H LIG 1 3.115 0.445 0.717 0.00 0.00 +0.155 HD ATOM 9 C LIG 1 1.963 1.123 -0.831 0.00 0.00 +0.248 C ATOM 10 O LIG 1 1.774 1.416 -2.004 0.00 0.00 -0.270 OA BRANCH 7 19 ATOM 11 O LIG 1 10.279 -0.174 -1.235 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 9.086 0.048 -1.204 0.00 0.00 +0.249 C ATOM 13 C LIG 1 8.096 -0.182 -0.083 0.00 0.00 +0.048 C ATOM 14 C LIG 1 8.284 -0.691 1.145 0.00 0.00 +0.041 C ATOM 15 C LIG 1 6.780 0.242 -0.599 0.00 0.00 +0.010 A ATOM 16 C LIG 1 6.994 0.683 -1.905 0.00 0.00 +0.042 A ATOM 17 C LIG 1 5.976 1.158 -2.702 0.00 0.00 +0.026 A ATOM 18 C LIG 1 4.688 1.191 -2.155 0.00 0.00 +0.025 A ATOM 19 C LIG 1 4.442 0.755 -0.839 0.00 0.00 +0.034 A ATOM 20 C LIG 1 5.505 0.278 -0.052 0.00 0.00 +0.033 A ATOM 21 N LIG 1 8.335 0.570 -2.246 0.00 0.00 -0.281 N ATOM 22 H LIG 1 8.743 0.816 -3.135 0.00 0.00 +0.155 HD BRANCH 14 23 ATOM 23 C LIG 1 9.523 -1.081 1.703 0.00 0.00 +0.059 A ATOM 24 N LIG 1 9.533 -2.096 2.634 0.00 0.00 -0.345 N ATOM 25 H LIG 1 8.739 -2.635 2.944 0.00 0.00 +0.167 HD ATOM 26 C LIG 1 10.819 -2.273 3.058 0.00 0.00 +0.196 A ATOM 27 N LIG 1 11.636 -1.433 2.471 0.00 0.00 -0.244 NA ATOM 28 C LIG 1 10.847 -0.698 1.619 0.00 0.00 +0.138 A ENDBRANCH 14 23 ENDBRANCH 7 19 ENDBRANCH 1 9 BRANCH 3 29 ATOM 29 N LIG 1 -2.746 -0.119 0.145 0.00 0.00 -0.281 N ATOM 30 H LIG 1 -3.486 -0.034 0.843 0.00 0.00 +0.155 HD ATOM 31 C LIG 1 -3.076 -0.796 -1.009 0.00 0.00 +0.253 C ATOM 32 O LIG 1 -2.305 -1.042 -1.934 0.00 0.00 -0.270 OA BRANCH 31 33 ATOM 33 C LIG 1 -4.503 -1.260 -1.078 0.00 0.00 +0.101 A ATOM 34 C LIG 1 -5.503 -1.056 0.021 0.00 0.00 +0.264 A ATOM 35 O LIG 1 -5.169 -0.476 1.057 0.00 0.00 -0.267 OA ATOM 36 N LIG 1 -6.792 -1.551 -0.199 0.00 0.00 -0.310 N ATOM 37 C LIG 1 -7.143 -2.189 -1.376 0.00 0.00 +0.089 A ATOM 38 C LIG 1 -6.252 -2.369 -2.356 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -4.902 -1.893 -2.197 0.00 0.00 +0.020 A BRANCH 36 40 ATOM 40 C LIG 1 -7.807 -1.359 0.837 0.00 0.00 +0.160 C BRANCH 40 41 ATOM 41 C LIG 1 -8.683 -0.155 0.567 0.00 0.00 -0.025 A ATOM 42 C LIG 1 -9.964 -0.312 0.015 0.00 0.00 +0.046 A ATOM 43 C LIG 1 -10.753 0.805 -0.245 0.00 0.00 +0.159 A ATOM 44 F LIG 1 -11.973 0.636 -0.771 0.00 0.00 -0.202 F ATOM 45 C LIG 1 -10.282 2.082 0.035 0.00 0.00 +0.158 A ATOM 46 F LIG 1 -11.045 3.154 -0.217 0.00 0.00 -0.202 F ATOM 47 C LIG 1 -9.015 2.258 0.580 0.00 0.00 +0.041 A ATOM 48 C LIG 1 -8.216 1.143 0.844 0.00 0.00 +0.008 A ENDBRANCH 40 41 ENDBRANCH 36 40 ENDBRANCH 31 33 ENDBRANCH 3 29 TORSDOF 7