REMARK Name = BDB032336 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.931 1.879 -1.581 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.107 1.200 -0.525 0.00 0.00 -0.041 A ATOM 3 C LIG 1 -0.668 0.707 0.660 0.00 0.00 -0.009 A ATOM 4 C LIG 1 0.197 0.098 1.566 0.00 0.00 +0.118 A ATOM 5 N LIG 1 1.534 -0.021 1.395 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 2.074 0.470 0.267 0.00 0.00 +0.122 A ATOM 7 C LIG 1 1.279 1.081 -0.706 0.00 0.00 +0.047 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 3.466 0.371 0.036 0.00 0.00 -0.304 N ATOM 9 C LIG 1 4.265 0.277 1.301 0.00 0.00 +0.140 C ATOM 10 C LIG 1 4.322 1.657 1.969 0.00 0.00 +0.036 C ATOM 11 C LIG 1 5.674 -0.208 1.058 0.00 0.00 +0.154 A ATOM 12 N LIG 1 6.685 -0.303 1.895 0.00 0.00 -0.132 NA ATOM 13 N LIG 1 7.759 -0.817 1.203 0.00 0.00 -0.125 NA ATOM 14 C LIG 1 7.385 -1.037 -0.045 0.00 0.00 +0.238 A ATOM 15 N LIG 1 6.070 -0.680 -0.162 0.00 0.00 -0.305 N ATOM 16 C LIG 1 5.203 -0.736 -1.318 0.00 0.00 +0.144 C ATOM 17 C LIG 1 3.729 -0.745 -0.898 0.00 0.00 +0.129 C BRANCH 14 18 ATOM 18 C LIG 1 8.186 -1.575 -1.168 0.00 0.00 +0.452 C ATOM 19 F LIG 1 9.504 -1.713 -0.885 0.00 0.00 -0.163 F ATOM 20 F LIG 1 8.099 -0.774 -2.267 0.00 0.00 -0.163 F ATOM 21 F LIG 1 7.732 -2.796 -1.561 0.00 0.00 -0.163 F ENDBRANCH 14 18 ENDBRANCH 6 8 BRANCH 3 22 ATOM 22 C LIG 1 -2.137 0.772 0.988 0.00 0.00 +0.138 C BRANCH 22 23 ATOM 23 N LIG 1 -2.752 -0.521 0.690 0.00 0.00 -0.339 N ATOM 24 H LIG 1 -2.467 -0.864 -0.221 0.00 0.00 +0.146 HD BRANCH 23 25 ATOM 25 C LIG 1 -4.162 -0.508 0.836 0.00 0.00 +0.035 A ATOM 26 C LIG 1 -5.051 -0.511 -0.282 0.00 0.00 +0.008 A ATOM 27 C LIG 1 -6.448 -0.443 -0.050 0.00 0.00 +0.023 A ATOM 28 C LIG 1 -7.309 -0.437 -1.170 0.00 0.00 +0.124 A ATOM 29 N LIG 1 -6.885 -0.511 -2.444 0.00 0.00 -0.240 NA ATOM 30 C LIG 1 -5.559 -0.583 -2.643 0.00 0.00 +0.113 A ATOM 31 C LIG 1 -6.924 -0.386 1.278 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -6.051 -0.375 2.361 0.00 0.00 +0.003 A ATOM 33 C LIG 1 -4.623 -0.579 -1.622 0.00 0.00 +0.030 A ATOM 34 C LIG 1 -4.682 -0.426 2.138 0.00 0.00 +0.023 A BRANCH 28 35 ATOM 35 N LIG 1 -8.699 -0.352 -1.035 0.00 0.00 -0.343 N ATOM 36 H LIG 1 -8.957 0.483 -0.522 0.00 0.00 +0.144 HD ATOM 37 H LIG 1 -9.072 -0.335 -1.982 0.00 0.00 +0.144 HD ENDBRANCH 28 35 ENDBRANCH 23 25 ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6