REMARK Name = BDB050511 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.502 -5.062 0.450 0.00 0.00 +0.129 C ATOM 2 N LIG 1 -5.076 -3.686 0.376 0.00 0.00 -0.302 N ATOM 3 H LIG 1 -5.272 -3.218 -0.496 0.00 0.00 +0.150 HD ATOM 4 C LIG 1 -3.864 -3.327 0.913 0.00 0.00 +0.302 C ATOM 5 N LIG 1 -3.532 -1.991 0.740 0.00 0.00 -0.281 N ATOM 6 C LIG 1 -2.215 -1.603 1.280 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -1.846 -0.238 0.821 0.00 0.00 +0.033 A ATOM 8 C LIG 1 -0.630 0.472 0.942 0.00 0.00 +0.152 A ATOM 9 N LIG 1 -0.730 1.686 0.390 0.00 0.00 -0.155 NA ATOM 10 N LIG 1 -1.981 1.749 -0.109 0.00 0.00 -0.263 N ATOM 11 C LIG 1 -2.694 0.614 0.143 0.00 0.00 +0.048 A ATOM 12 C LIG 1 -4.084 0.264 -0.237 0.00 0.00 +0.074 C ATOM 13 C LIG 1 -4.551 -0.922 0.636 0.00 0.00 +0.116 C ATOM 14 O LIG 1 -3.136 -4.131 1.488 0.00 0.00 -0.253 OA ENDROOT BRANCH 8 15 ATOM 15 N LIG 1 0.473 -0.047 1.560 0.00 0.00 -0.283 N ATOM 16 C LIG 1 1.775 -0.098 0.977 0.00 0.00 +0.039 A ATOM 17 C LIG 1 2.920 -0.393 1.742 0.00 0.00 -0.025 A ATOM 18 C LIG 1 4.186 -0.449 1.133 0.00 0.00 +0.014 A ATOM 19 C LIG 1 4.343 -0.251 -0.246 0.00 0.00 -0.006 A ATOM 20 C LIG 1 3.212 -0.001 -1.036 0.00 0.00 +0.027 A ATOM 21 C LIG 1 2.835 -0.610 3.230 0.00 0.00 +0.038 C ATOM 22 C LIG 1 1.411 -0.909 3.664 0.00 0.00 +0.024 C ATOM 23 C LIG 1 1.951 0.073 -0.411 0.00 0.00 +0.033 A ATOM 24 C LIG 1 0.477 0.103 3.024 0.00 0.00 +0.113 C BRANCH 19 25 ATOM 25 C LIG 1 5.676 -0.321 -0.808 0.00 0.00 +0.020 A ATOM 26 C LIG 1 6.488 -1.434 -0.745 0.00 0.00 +0.116 A ATOM 27 N LIG 1 7.643 -1.096 -1.387 0.00 0.00 -0.274 N ATOM 28 C LIG 1 8.804 -1.929 -1.586 0.00 0.00 +0.172 C ATOM 29 N LIG 1 7.641 0.160 -1.870 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 6.446 0.635 -1.507 0.00 0.00 +0.142 A ENDBRANCH 19 25 BRANCH 20 31 ATOM 31 C LIG 1 3.303 0.199 -2.527 0.00 0.00 +0.372 C ATOM 32 F LIG 1 2.096 0.116 -3.163 0.00 0.00 -0.204 F ATOM 33 F LIG 1 3.801 1.423 -2.861 0.00 0.00 -0.204 F ENDBRANCH 20 31 ENDBRANCH 8 15 BRANCH 10 34 ATOM 34 C LIG 1 -2.379 2.964 -0.809 0.00 0.00 +0.112 C ATOM 35 C LIG 1 -3.413 3.781 -0.023 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -4.341 4.547 -0.956 0.00 0.00 +0.162 C ATOM 37 O LIG 1 -3.605 5.050 -2.063 0.00 0.00 -0.380 OA ATOM 38 C LIG 1 -3.134 4.030 -2.946 0.00 0.00 +0.162 C ATOM 39 C LIG 1 -2.829 2.709 -2.247 0.00 0.00 +0.055 C ENDBRANCH 10 34 TORSDOF 4