REMARK Name = BDB013099 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.608 -0.072 0.126 0.00 0.00 +0.046 A ATOM 2 C LIG 1 -1.056 -1.417 0.017 0.00 0.00 +0.173 A ATOM 3 N LIG 1 -2.407 -1.643 0.116 0.00 0.00 -0.253 N ATOM 4 C LIG 1 -2.565 -2.989 -0.049 0.00 0.00 +0.232 A ATOM 5 N LIG 1 -1.392 -3.558 -0.212 0.00 0.00 -0.137 NA ATOM 6 C LIG 1 -3.347 -0.625 0.326 0.00 0.00 +0.203 A ATOM 7 N LIG 1 -2.931 0.610 0.412 0.00 0.00 -0.223 NA ATOM 8 N LIG 1 -0.438 -2.566 -0.170 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 -1.577 0.855 0.299 0.00 0.00 +0.126 A ENDROOT BRANCH 1 13 ATOM 10 C LIG 1 3.496 1.068 -0.280 0.00 0.00 +0.121 A ATOM 11 N LIG 1 2.950 0.162 -1.117 0.00 0.00 -0.240 NA ATOM 12 C LIG 1 1.648 -0.186 -0.948 0.00 0.00 +0.121 A ATOM 13 C LIG 1 0.804 0.354 0.015 0.00 0.00 +0.005 A ATOM 14 C LIG 1 1.375 1.296 0.870 0.00 0.00 +0.013 A ATOM 15 C LIG 1 2.717 1.656 0.717 0.00 0.00 +0.044 A BRANCH 10 20 ATOM 16 C LIG 1 9.102 1.315 -0.759 0.00 0.00 +0.403 C ATOM 17 N LIG 1 7.732 1.251 -0.633 0.00 0.00 -0.264 N ATOM 18 C LIG 1 7.043 0.901 0.609 0.00 0.00 +0.130 C ATOM 19 C LIG 1 5.667 1.583 0.748 0.00 0.00 +0.125 C ATOM 20 N LIG 1 4.828 1.435 -0.455 0.00 0.00 -0.312 N ATOM 21 C LIG 1 5.482 0.886 -1.656 0.00 0.00 +0.125 C ATOM 22 C LIG 1 6.896 1.470 -1.812 0.00 0.00 +0.130 C ATOM 23 O LIG 1 9.679 1.608 -1.800 0.00 0.00 -0.226 OA BRANCH 16 25 ATOM 24 C LIG 1 11.169 1.058 0.309 0.00 0.00 +0.282 C ATOM 25 O LIG 1 9.745 1.011 0.402 0.00 0.00 -0.454 OA ENDBRANCH 16 25 ENDBRANCH 10 20 ENDBRANCH 1 13 BRANCH 6 26 ATOM 26 N LIG 1 -4.680 -0.956 0.432 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -4.928 -1.903 0.694 0.00 0.00 +0.149 HD BRANCH 26 28 ATOM 28 C LIG 1 -5.672 0.029 0.822 0.00 0.00 +0.140 C BRANCH 28 29 ATOM 29 C LIG 1 -7.037 -0.602 0.763 0.00 0.00 -0.024 A ATOM 30 C LIG 1 -7.714 -0.778 -0.440 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -7.347 -0.353 -1.813 0.00 0.00 +0.080 C ATOM 32 C LIG 1 -8.393 -1.139 -2.603 0.00 0.00 +0.234 C ATOM 33 O LIG 1 -9.506 -1.452 -1.735 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 -8.967 -1.373 -0.477 0.00 0.00 +0.124 A ATOM 35 C LIG 1 -9.601 -1.820 0.663 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -8.935 -1.673 1.879 0.00 0.00 +0.004 A ATOM 37 C LIG 1 -7.664 -1.075 1.930 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 6 26 TORSDOF 6