REMARK Name = BDB010944 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.662 -0.924 0.725 0.00 0.00 -0.239 N ATOM 2 N LIG 1 0.307 -1.875 0.617 0.00 0.00 -0.166 NA ATOM 3 C LIG 1 1.467 -1.210 0.522 0.00 0.00 +0.094 A ATOM 4 C LIG 1 1.214 0.203 0.540 0.00 0.00 +0.032 A ATOM 5 C LIG 1 2.154 1.234 0.467 0.00 0.00 +0.066 A ATOM 6 C LIG 1 3.465 0.689 0.384 0.00 0.00 +0.018 A ATOM 7 C LIG 1 3.780 -0.718 0.352 0.00 0.00 -0.031 A ATOM 8 C LIG 1 2.774 -1.713 0.422 0.00 0.00 +0.035 A ATOM 9 C LIG 1 -0.142 0.352 0.652 0.00 0.00 +0.123 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -4.388 -0.692 1.312 0.00 0.00 -0.032 A ATOM 11 C LIG 1 -3.032 -0.342 1.087 0.00 0.00 +0.032 A ATOM 12 C LIG 1 -2.023 -1.303 0.916 0.00 0.00 +0.066 A ATOM 13 C LIG 1 -2.363 -2.659 0.953 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -3.685 -3.040 1.161 0.00 0.00 +0.002 A ATOM 15 C LIG 1 -4.676 -2.071 1.339 0.00 0.00 +0.005 A BRANCH 10 18 ATOM 16 C LIG 1 -6.284 0.419 3.540 0.00 0.00 +0.066 C ATOM 17 C LIG 1 -5.305 1.361 2.801 0.00 0.00 +0.035 C ATOM 18 C LIG 1 -5.500 0.459 1.524 0.00 0.00 +0.058 C ATOM 19 C LIG 1 -6.892 0.104 2.153 0.00 0.00 +0.035 C BRANCH 18 20 ATOM 20 C LIG 1 -5.632 1.309 0.199 0.00 0.00 +0.144 A ATOM 21 N LIG 1 -6.275 0.962 -0.958 0.00 0.00 -0.320 N ATOM 22 C LIG 1 -6.980 -0.256 -1.244 0.00 0.00 +0.151 C ATOM 23 C LIG 1 -6.099 2.006 -1.812 0.00 0.00 +0.224 A ATOM 24 N LIG 1 -5.376 2.934 -1.229 0.00 0.00 -0.138 NA ATOM 25 N LIG 1 -5.075 2.492 0.038 0.00 0.00 -0.134 NA ENDBRANCH 18 20 BRANCH 16 27 ATOM 26 C LIG 1 -7.905 1.582 5.280 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -7.174 1.052 4.489 0.00 0.00 -0.102 C ENDBRANCH 16 27 ENDBRANCH 10 18 ENDBRANCH 1 12 BRANCH 5 28 ATOM 28 C LIG 1 1.885 2.705 0.465 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.140 3.099 -0.605 0.00 0.00 -0.166 F ATOM 30 F LIG 1 3.015 3.465 0.428 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.202 3.118 1.569 0.00 0.00 -0.166 F ENDBRANCH 5 28 BRANCH 7 32 ATOM 32 C LIG 1 5.238 -1.156 0.301 0.00 0.00 +0.119 C BRANCH 32 33 ATOM 33 N LIG 1 6.035 -0.433 -0.701 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 5.591 -0.713 -2.079 0.00 0.00 +0.088 C ATOM 35 C LIG 1 6.699 -0.547 -3.143 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.096 -0.303 -4.525 0.00 0.00 +0.009 C ATOM 37 C LIG 1 7.656 0.578 -2.748 0.00 0.00 +0.006 C ATOM 38 C LIG 1 8.279 0.304 -1.375 0.00 0.00 +0.016 C ATOM 39 C LIG 1 7.466 -0.679 -0.525 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 7 32 TORSDOF 7