REMARK Name = BDB051801 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.686 -1.284 0.494 0.00 0.00 +0.249 C ATOM 2 N LIG 1 0.316 -1.109 0.689 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -0.323 -1.995 1.660 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -1.829 -2.128 1.443 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.509 -0.835 1.285 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.840 -0.768 1.699 0.00 0.00 +0.236 C ATOM 7 O LIG 1 -4.274 -1.649 2.454 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -1.866 0.060 0.318 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -0.350 0.184 0.527 0.00 0.00 +0.127 C ATOM 10 O LIG 1 2.337 -2.178 1.034 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.335 1.141 -0.635 0.00 0.00 -0.041 A ATOM 12 C LIG 1 3.555 0.294 0.168 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.432 -0.350 -0.367 0.00 0.00 +0.072 A ATOM 14 C LIG 1 2.097 -0.171 -1.706 0.00 0.00 +0.135 A ATOM 15 F LIG 1 1.043 -0.799 -2.245 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.854 0.677 -2.510 0.00 0.00 +0.039 A ATOM 17 C LIG 1 3.964 1.336 -1.976 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 18 C LIG 1 5.543 1.845 -0.057 0.00 0.00 +0.092 C BRANCH 18 28 ATOM 19 C LIG 1 7.021 -0.712 0.440 0.00 0.00 +0.046 C ATOM 20 C LIG 1 7.559 0.244 -0.582 0.00 0.00 -0.019 A ATOM 21 C LIG 1 8.672 0.043 -1.315 0.00 0.00 +0.020 A ATOM 22 C LIG 1 9.535 -1.185 -1.292 0.00 0.00 +0.050 C ATOM 23 C LIG 1 9.130 1.091 -2.272 0.00 0.00 +0.268 A ATOM 24 O LIG 1 10.134 0.941 -2.958 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 8.368 2.224 -2.341 0.00 0.00 -0.243 N ATOM 26 H LIG 1 8.671 2.950 -2.984 0.00 0.00 +0.192 HD ATOM 27 N LIG 1 7.234 2.465 -1.639 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 6.838 1.545 -0.811 0.00 0.00 +0.069 A ENDBRANCH 18 28 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 -4.761 0.450 1.340 0.00 0.00 +0.100 C ATOM 30 N LIG 1 -4.620 0.863 -0.083 0.00 0.00 -0.303 NA ATOM 31 H LIG 1 -5.223 0.306 -0.687 0.00 0.00 +0.123 HD ATOM 32 C LIG 1 -4.960 2.278 -0.136 0.00 0.00 +0.082 C ATOM 33 C LIG 1 -4.335 2.851 1.123 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -4.291 1.696 2.120 0.00 0.00 +0.033 C BRANCH 29 35 ATOM 35 C LIG 1 -6.254 0.145 1.721 0.00 0.00 +0.066 C BRANCH 35 36 ATOM 36 C LIG 1 -7.034 -0.762 0.785 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -6.959 -2.158 0.901 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -7.681 -2.983 0.037 0.00 0.00 +0.038 A ATOM 39 C LIG 1 -8.489 -2.414 -0.937 0.00 0.00 +0.123 A ATOM 40 F LIG 1 -9.181 -3.206 -1.762 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -8.588 -1.035 -1.066 0.00 0.00 +0.038 A ATOM 42 C LIG 1 -7.865 -0.210 -0.206 0.00 0.00 +0.006 A ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 6 29 TORSDOF 6