REMARK Name = BDB019802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.702 -0.647 -2.891 0.00 0.00 +0.167 A ATOM 2 C LIG 1 -2.470 -1.746 -2.508 0.00 0.00 +0.186 A ATOM 3 C LIG 1 -3.300 -2.268 -3.484 0.00 0.00 +0.162 A ATOM 4 N LIG 1 -3.409 -1.764 -4.729 0.00 0.00 -0.240 NA ATOM 5 C LIG 1 -2.669 -0.676 -4.973 0.00 0.00 +0.223 A ATOM 6 N LIG 1 -1.813 -0.094 -4.120 0.00 0.00 -0.217 NA ENDROOT BRANCH 1 12 ATOM 7 C LIG 1 3.496 1.695 0.654 0.00 0.00 +0.233 C ATOM 8 N LIG 1 2.529 1.034 -0.069 0.00 0.00 -0.299 N ATOM 9 C LIG 1 2.485 0.626 -1.472 0.00 0.00 +0.119 C ATOM 10 C LIG 1 1.006 0.535 -1.283 0.00 0.00 +0.034 C ATOM 11 C LIG 1 0.073 1.058 -2.327 0.00 0.00 +0.118 C ATOM 12 N LIG 1 -0.780 -0.062 -1.986 0.00 0.00 -0.311 N ATOM 13 C LIG 1 0.319 -0.793 -1.387 0.00 0.00 +0.118 C ATOM 14 C LIG 1 1.078 1.210 0.053 0.00 0.00 +0.119 C ATOM 15 O LIG 1 3.209 2.305 1.685 0.00 0.00 -0.274 OA BRANCH 7 21 ATOM 16 C LIG 1 8.982 1.452 -0.267 0.00 0.00 +0.009 C ATOM 17 C LIG 1 7.738 1.209 0.172 0.00 0.00 -0.059 C ATOM 18 C LIG 1 7.040 2.018 1.247 0.00 0.00 +0.080 C ATOM 19 N LIG 1 5.825 2.607 0.673 0.00 0.00 -0.299 NA ATOM 20 H LIG 1 6.077 3.285 -0.043 0.00 0.00 +0.123 HD ATOM 21 C LIG 1 4.934 1.565 0.099 0.00 0.00 +0.144 C ATOM 22 C LIG 1 5.514 0.150 0.345 0.00 0.00 +0.019 C ATOM 23 C LIG 1 5.738 -0.053 1.858 0.00 0.00 +0.008 C ATOM 24 C LIG 1 6.633 1.075 2.394 0.00 0.00 +0.023 C ATOM 25 C LIG 1 6.884 0.083 -0.363 0.00 0.00 +0.037 C ENDBRANCH 7 21 ENDBRANCH 1 12 BRANCH 2 26 ATOM 26 O LIG 1 -2.338 -2.253 -1.237 0.00 0.00 -0.450 OA BRANCH 26 27 ATOM 27 C LIG 1 -3.412 -2.913 -0.690 0.00 0.00 +0.141 A ATOM 28 C LIG 1 -4.596 -2.266 -0.306 0.00 0.00 +0.082 A ATOM 29 C LIG 1 -5.661 -2.995 0.229 0.00 0.00 +0.055 A ATOM 30 C LIG 1 -5.506 -4.360 0.431 0.00 0.00 +0.124 A ATOM 31 F LIG 1 -6.514 -5.066 0.959 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -4.318 -5.008 0.102 0.00 0.00 +0.042 A ATOM 33 C LIG 1 -3.264 -4.283 -0.457 0.00 0.00 +0.050 A BRANCH 28 34 ATOM 34 C LIG 1 -4.779 -0.821 -0.507 0.00 0.00 +0.251 C ATOM 35 N LIG 1 -4.192 0.088 0.394 0.00 0.00 -0.292 N ATOM 36 O LIG 1 -5.445 -0.500 -1.488 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -3.703 -0.338 1.734 0.00 0.00 +0.070 C ATOM 38 C LIG 1 -4.398 0.356 2.904 0.00 0.00 +0.028 C ATOM 39 C LIG 1 -2.182 -0.287 1.869 0.00 0.00 +0.028 C ENDBRANCH 35 37 BRANCH 35 40 ATOM 40 C LIG 1 -4.285 1.513 -0.010 0.00 0.00 +0.070 C ATOM 41 C LIG 1 -3.098 2.393 0.371 0.00 0.00 +0.028 C ATOM 42 C LIG 1 -5.610 2.154 0.417 0.00 0.00 +0.028 C ENDBRANCH 35 40 ENDBRANCH 28 34 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 7