REMARK Name = BDB051802 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.655 -0.904 0.009 0.00 0.00 +0.249 C ATOM 2 N LIG 1 0.307 -0.606 -0.177 0.00 0.00 -0.294 N ATOM 3 C LIG 1 -0.668 -1.546 0.379 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -2.004 -1.507 -0.383 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -2.547 -0.148 -0.522 0.00 0.00 -0.297 N ATOM 6 C LIG 1 -3.252 0.345 0.580 0.00 0.00 +0.236 C ATOM 7 O LIG 1 -2.688 0.957 1.490 0.00 0.00 -0.274 OA ATOM 8 C LIG 1 -1.554 0.773 -1.088 0.00 0.00 +0.127 C ATOM 9 C LIG 1 -0.205 0.762 -0.347 0.00 0.00 +0.127 C ATOM 10 O LIG 1 2.051 -1.919 0.581 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.737 1.264 -0.074 0.00 0.00 -0.041 A ATOM 12 C LIG 1 3.697 0.440 0.384 0.00 0.00 +0.020 A ATOM 13 C LIG 1 2.688 0.021 -0.492 0.00 0.00 +0.072 A ATOM 14 C LIG 1 2.728 0.402 -1.831 0.00 0.00 +0.135 A ATOM 15 F LIG 1 1.792 -0.016 -2.696 0.00 0.00 -0.205 F ATOM 16 C LIG 1 3.741 1.235 -2.294 0.00 0.00 +0.039 A ATOM 17 C LIG 1 4.737 1.672 -1.418 0.00 0.00 +0.007 A BRANCH 11 18 ATOM 18 C LIG 1 5.819 1.724 0.877 0.00 0.00 +0.092 C BRANCH 18 28 ATOM 19 C LIG 1 6.997 -1.014 1.104 0.00 0.00 +0.046 C ATOM 20 C LIG 1 7.807 0.062 0.445 0.00 0.00 -0.019 A ATOM 21 C LIG 1 9.035 -0.109 -0.084 0.00 0.00 +0.020 A ATOM 22 C LIG 1 9.803 -1.398 -0.170 0.00 0.00 +0.050 C ATOM 23 C LIG 1 9.759 1.060 -0.665 0.00 0.00 +0.268 A ATOM 24 O LIG 1 10.883 0.954 -1.144 0.00 0.00 -0.266 OA ATOM 25 N LIG 1 9.105 2.259 -0.627 0.00 0.00 -0.243 N ATOM 26 H LIG 1 9.588 3.061 -1.017 0.00 0.00 +0.192 HD ATOM 27 N LIG 1 7.860 2.472 -0.138 0.00 0.00 -0.175 NA ATOM 28 C LIG 1 7.234 1.451 0.367 0.00 0.00 +0.069 A ENDBRANCH 18 28 ENDBRANCH 11 18 ENDBRANCH 1 13 BRANCH 6 29 ATOM 29 C LIG 1 -4.814 0.191 0.526 0.00 0.00 +0.100 C ATOM 30 N LIG 1 -5.374 0.843 1.754 0.00 0.00 -0.303 NA ATOM 31 H LIG 1 -4.611 0.972 2.428 0.00 0.00 +0.123 HD ATOM 32 C LIG 1 -5.877 2.157 1.354 0.00 0.00 +0.082 C ATOM 33 C LIG 1 -6.414 1.924 -0.038 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -5.367 1.014 -0.655 0.00 0.00 +0.033 C BRANCH 29 35 ATOM 35 C LIG 1 -5.228 -1.300 0.466 0.00 0.00 +0.066 C BRANCH 35 36 ATOM 36 C LIG 1 -6.713 -1.612 0.472 0.00 0.00 -0.045 A ATOM 37 C LIG 1 -7.443 -1.584 1.671 0.00 0.00 +0.006 A ATOM 38 C LIG 1 -8.809 -1.872 1.678 0.00 0.00 +0.038 A ATOM 39 C LIG 1 -9.446 -2.195 0.487 0.00 0.00 +0.123 A ATOM 40 F LIG 1 -10.757 -2.471 0.493 0.00 0.00 -0.205 F ATOM 41 C LIG 1 -8.743 -2.235 -0.711 0.00 0.00 +0.038 A ATOM 42 C LIG 1 -7.378 -1.945 -0.719 0.00 0.00 +0.006 A ENDBRANCH 35 36 ENDBRANCH 29 35 ENDBRANCH 6 29 TORSDOF 6