REMARK Name = BDB053534 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.112 0.476 0.808 0.00 0.00 +0.151 A ATOM 2 C LIG 1 -1.177 1.040 1.709 0.00 0.00 +0.012 A ATOM 3 C LIG 1 -1.324 1.994 2.844 0.00 0.00 +0.044 C ATOM 4 C LIG 1 -0.157 1.843 3.853 0.00 0.00 +0.043 C ATOM 5 C LIG 1 1.183 1.560 3.216 0.00 0.00 -0.001 A ATOM 6 C LIG 1 1.295 0.901 2.000 0.00 0.00 +0.097 A ATOM 7 N LIG 1 2.455 0.586 1.405 0.00 0.00 -0.212 NA ATOM 8 C LIG 1 3.573 0.919 2.070 0.00 0.00 +0.220 A ATOM 9 N LIG 1 3.570 1.525 3.273 0.00 0.00 -0.222 NA ATOM 10 C LIG 1 2.380 1.836 3.821 0.00 0.00 +0.120 A ATOM 11 C LIG 1 0.058 0.555 1.322 0.00 0.00 +0.091 A ATOM 12 N LIG 1 -0.180 -0.281 0.272 0.00 0.00 -0.264 N ATOM 13 C LIG 1 0.770 -1.080 -0.464 0.00 0.00 +0.173 C ATOM 14 N LIG 1 -1.491 -0.348 -0.066 0.00 0.00 -0.166 NA ENDROOT BRANCH 1 17 ATOM 15 N LIG 1 -4.143 0.021 -0.315 0.00 0.00 -0.280 N ATOM 16 H LIG 1 -3.502 -0.676 -0.685 0.00 0.00 +0.155 HD ATOM 17 C LIG 1 -3.574 0.680 0.762 0.00 0.00 +0.269 C ATOM 18 O LIG 1 -4.165 1.310 1.632 0.00 0.00 -0.268 OA BRANCH 15 20 ATOM 19 C LIG 1 -6.436 0.908 -0.575 0.00 0.00 -0.026 A ATOM 20 C LIG 1 -5.525 -0.172 -0.508 0.00 0.00 +0.040 A ATOM 21 C LIG 1 -5.984 -1.496 -0.717 0.00 0.00 -0.026 A ATOM 22 C LIG 1 -7.354 -1.728 -0.921 0.00 0.00 +0.005 A ATOM 23 C LIG 1 -8.260 -0.676 -0.929 0.00 0.00 +0.001 A ATOM 24 C LIG 1 -7.804 0.628 -0.766 0.00 0.00 +0.005 A BRANCH 19 26 ATOM 25 C LIG 1 -5.345 2.755 -1.904 0.00 0.00 +0.009 C ATOM 26 C LIG 1 -6.032 2.368 -0.601 0.00 0.00 +0.033 C ENDBRANCH 19 26 BRANCH 21 27 ATOM 27 C LIG 1 -5.064 -2.700 -0.712 0.00 0.00 +0.033 C ATOM 28 C LIG 1 -4.466 -2.966 -2.086 0.00 0.00 +0.009 C ENDBRANCH 21 27 ENDBRANCH 15 20 ENDBRANCH 1 17 BRANCH 8 29 ATOM 29 N LIG 1 4.835 0.623 1.574 0.00 0.00 -0.281 N ATOM 30 H LIG 1 5.545 0.814 2.270 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 5.328 0.113 0.365 0.00 0.00 +0.076 A ATOM 32 C LIG 1 6.676 -0.322 0.314 0.00 0.00 +0.142 A ATOM 33 C LIG 1 7.207 -0.860 -0.864 0.00 0.00 +0.060 A ATOM 34 C LIG 1 6.403 -0.972 -2.005 0.00 0.00 +0.040 A ATOM 35 C LIG 1 5.069 -0.561 -1.958 0.00 0.00 +0.015 A ATOM 36 C LIG 1 4.542 -0.019 -0.783 0.00 0.00 +0.028 A BRANCH 34 37 ATOM 37 C LIG 1 6.920 -1.538 -3.277 0.00 0.00 +0.242 C ATOM 38 O LIG 1 6.175 -2.048 -4.104 0.00 0.00 -0.270 OA ATOM 39 N LIG 1 8.263 -1.431 -3.513 0.00 0.00 -0.325 N ATOM 40 H LIG 1 8.831 -0.750 -3.029 0.00 0.00 +0.145 HD ATOM 41 H LIG 1 8.560 -1.694 -4.445 0.00 0.00 +0.145 HD ENDBRANCH 34 37 BRANCH 32 42 ATOM 42 O LIG 1 7.379 -0.162 1.488 0.00 0.00 -0.493 OA ATOM 43 C LIG 1 8.686 -0.720 1.548 0.00 0.00 +0.277 C ENDBRANCH 32 42 ENDBRANCH 29 31 ENDBRANCH 8 29 TORSDOF 8