REMARK Name = BDB011822 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.309 -0.853 -0.608 0.00 0.00 -0.264 N ATOM 2 C LIG 1 -0.971 0.204 -1.557 0.00 0.00 +0.058 A ATOM 3 C LIG 1 0.272 0.403 -2.210 0.00 0.00 +0.058 A ATOM 4 C LIG 1 0.449 1.501 -3.090 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -0.559 2.423 -3.333 0.00 0.00 +0.002 A ATOM 6 C LIG 1 -1.779 2.249 -2.715 0.00 0.00 +0.002 A ATOM 7 N LIG 1 1.389 -0.459 -2.076 0.00 0.00 -0.263 N ATOM 8 C LIG 1 2.726 -0.046 -1.956 0.00 0.00 +0.251 C ATOM 9 O LIG 1 3.680 -0.782 -2.208 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.118 -1.881 -2.114 0.00 0.00 +0.145 C ATOM 11 C LIG 1 0.770 -2.331 -0.721 0.00 0.00 +0.177 C ATOM 12 C LIG 1 -1.974 1.160 -1.859 0.00 0.00 +0.025 A ATOM 13 C LIG 1 -0.722 -2.115 -0.468 0.00 0.00 +0.242 C ATOM 14 O LIG 1 -1.403 -3.079 -0.076 0.00 0.00 -0.273 OA ENDROOT BRANCH 8 15 ATOM 15 C LIG 1 3.038 1.309 -1.421 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.112 2.017 -1.968 0.00 0.00 +0.015 A ATOM 17 C LIG 1 4.440 3.283 -1.472 0.00 0.00 +0.023 A ATOM 18 C LIG 1 3.688 3.866 -0.449 0.00 0.00 +0.025 A ATOM 19 C LIG 1 2.673 3.115 0.151 0.00 0.00 +0.023 A ATOM 20 C LIG 1 2.340 1.847 -0.335 0.00 0.00 +0.015 A BRANCH 18 21 ATOM 21 N LIG 1 4.092 5.080 0.117 0.00 0.00 -0.358 N ATOM 22 H LIG 1 3.352 5.572 0.609 0.00 0.00 +0.142 HD ATOM 23 H LIG 1 4.599 5.685 -0.522 0.00 0.00 +0.142 HD ENDBRANCH 18 21 ENDBRANCH 8 15 BRANCH 11 24 ATOM 24 N LIG 1 1.072 -3.755 -0.541 0.00 0.00 -0.301 N ATOM 25 H LIG 1 0.480 -4.418 -1.040 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 1.425 -4.242 0.703 0.00 0.00 +0.230 C ATOM 27 O LIG 1 1.845 -3.550 1.625 0.00 0.00 -0.274 OA BRANCH 26 28 ATOM 28 C LIG 1 1.268 -5.771 0.812 0.00 0.00 +0.135 C ATOM 29 C LIG 1 2.526 -6.463 0.311 0.00 0.00 +0.033 C BRANCH 28 30 ATOM 30 N LIG 1 0.102 -6.204 -0.000 0.00 0.00 -0.320 NA ATOM 31 H LIG 1 -0.728 -5.723 0.362 0.00 0.00 +0.119 HD ATOM 32 H LIG 1 -0.059 -7.197 0.170 0.00 0.00 +0.119 HD ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 11 24 BRANCH 1 33 ATOM 33 C LIG 1 -2.481 -0.667 0.285 0.00 0.00 +0.153 C BRANCH 33 35 ATOM 34 C LIG 1 -1.232 0.750 1.992 0.00 0.00 +0.125 A ATOM 35 C LIG 1 -2.405 0.541 1.225 0.00 0.00 +0.020 A ATOM 36 C LIG 1 -3.526 1.422 1.396 0.00 0.00 -0.010 A ATOM 37 C LIG 1 -3.384 2.546 2.250 0.00 0.00 -0.017 A ATOM 38 C LIG 1 -4.443 3.452 2.426 0.00 0.00 +0.008 A ATOM 39 C LIG 1 -5.664 3.265 1.785 0.00 0.00 +0.001 A ATOM 40 C LIG 1 -5.840 2.163 0.964 0.00 0.00 +0.001 A ATOM 41 C LIG 1 -2.184 2.759 2.935 0.00 0.00 +0.012 A ATOM 42 C LIG 1 -4.792 1.258 0.776 0.00 0.00 +0.009 A ATOM 43 C LIG 1 -1.123 1.866 2.819 0.00 0.00 +0.046 A BRANCH 34 45 ATOM 44 C LIG 1 0.751 -0.240 2.889 0.00 0.00 +0.277 C ATOM 45 O LIG 1 -0.232 -0.180 1.860 0.00 0.00 -0.495 OA ENDBRANCH 34 45 ENDBRANCH 33 35 ENDBRANCH 1 33 TORSDOF 8