REMARK Name = BDB061088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.889 -2.611 0.268 0.00 0.00 -0.273 OA ATOM 2 C LIG 1 -1.653 -1.869 -0.356 0.00 0.00 +0.243 C ATOM 3 N LIG 1 -2.964 -1.640 0.072 0.00 0.00 -0.292 N ATOM 4 C LIG 1 -3.936 -0.876 -0.694 0.00 0.00 +0.144 C ATOM 5 C LIG 1 -3.980 0.614 -0.431 0.00 0.00 -0.019 A ATOM 6 C LIG 1 -2.885 1.449 -0.158 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -3.166 2.820 -0.024 0.00 0.00 +0.120 A ATOM 8 N LIG 1 -4.387 3.394 -0.122 0.00 0.00 -0.250 NA ATOM 9 C LIG 1 -5.441 2.582 -0.368 0.00 0.00 +0.144 A ATOM 10 C LIG 1 -1.465 1.049 -0.029 0.00 0.00 +0.003 C ATOM 11 C LIG 1 -0.765 0.348 -1.157 0.00 0.00 +0.148 C ATOM 12 N LIG 1 0.655 0.123 -0.871 0.00 0.00 -0.254 N ATOM 13 C LIG 1 1.237 0.717 0.219 0.00 0.00 +0.189 C ATOM 14 N LIG 1 0.602 1.348 1.165 0.00 0.00 -0.226 NA ATOM 15 C LIG 1 1.006 -0.997 -1.572 0.00 0.00 +0.186 C ATOM 16 N LIG 1 0.077 -1.707 -2.150 0.00 0.00 -0.261 NA ATOM 17 C LIG 1 -0.756 1.457 1.040 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -5.262 1.208 -0.539 0.00 0.00 +0.038 A ATOM 19 C LIG 1 -1.178 -1.072 -1.587 0.00 0.00 +0.217 C ENDROOT BRANCH 9 20 ATOM 20 C LIG 1 -6.840 3.172 -0.506 0.00 0.00 +0.434 C ATOM 21 F LIG 1 -7.781 2.433 0.154 0.00 0.00 -0.164 F ATOM 22 F LIG 1 -7.258 3.211 -1.805 0.00 0.00 -0.164 F ATOM 23 F LIG 1 -6.968 4.441 -0.030 0.00 0.00 -0.164 F ENDBRANCH 9 20 BRANCH 3 24 ATOM 24 C LIG 1 -3.361 -2.087 1.392 0.00 0.00 +0.077 C ATOM 25 C LIG 1 -3.302 -3.542 1.781 0.00 0.00 +0.024 C ATOM 26 C LIG 1 -4.628 -2.865 1.646 0.00 0.00 +0.024 C ENDBRANCH 3 24 BRANCH 13 27 ATOM 27 N LIG 1 2.592 0.594 0.361 0.00 0.00 -0.312 N ATOM 28 H LIG 1 2.833 0.980 1.273 0.00 0.00 +0.149 HD BRANCH 27 29 ATOM 29 C LIG 1 3.491 1.149 -0.642 0.00 0.00 +0.142 C BRANCH 29 30 ATOM 30 C LIG 1 4.924 0.961 -0.229 0.00 0.00 +0.012 A ATOM 31 C LIG 1 5.461 -0.274 0.128 0.00 0.00 +0.005 A ATOM 32 C LIG 1 4.809 -1.599 0.273 0.00 0.00 +0.080 C ATOM 33 C LIG 1 6.052 -2.480 0.390 0.00 0.00 +0.234 C ATOM 34 O LIG 1 7.164 -1.672 0.837 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 6.796 -0.397 0.494 0.00 0.00 +0.124 A ATOM 36 C LIG 1 7.657 0.681 0.520 0.00 0.00 +0.049 A ATOM 37 C LIG 1 7.151 1.924 0.145 0.00 0.00 +0.042 A ATOM 38 C LIG 1 5.806 2.052 -0.228 0.00 0.00 +0.129 A ATOM 39 F LIG 1 5.361 3.265 -0.590 0.00 0.00 -0.205 F ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 13 27 TORSDOF 5