REMARK Name = BDB010424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.953 -2.099 0.544 0.00 0.00 +0.201 A ATOM 2 N LIG 1 -0.242 -0.989 0.126 0.00 0.00 -0.307 N ATOM 3 C LIG 1 0.820 -0.826 0.991 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.655 -1.858 1.906 0.00 0.00 +0.185 A ATOM 5 N LIG 1 1.479 -2.100 2.937 0.00 0.00 -0.202 NA ATOM 6 C LIG 1 2.506 -1.250 2.981 0.00 0.00 +0.221 A ATOM 7 N LIG 1 2.755 -0.225 2.139 0.00 0.00 -0.206 NA ATOM 8 C LIG 1 1.911 0.033 1.117 0.00 0.00 +0.149 A ATOM 9 N LIG 1 -0.443 -2.614 1.633 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 14 ATOM 10 C LIG 1 -3.272 -6.006 -1.427 0.00 0.00 +0.040 C ATOM 11 C LIG 1 -3.320 -4.590 -0.860 0.00 0.00 +0.135 C ATOM 12 C LIG 1 -1.912 -3.956 -0.642 0.00 0.00 +0.102 C ATOM 13 C LIG 1 -1.089 -3.936 -1.935 0.00 0.00 +0.030 C ATOM 14 N LIG 1 -2.050 -2.541 -0.137 0.00 0.00 -0.293 N ATOM 15 C LIG 1 -3.312 -2.352 0.636 0.00 0.00 +0.136 C ATOM 16 C LIG 1 -3.758 -3.652 1.311 0.00 0.00 +0.179 C ATOM 17 O LIG 1 -4.084 -4.677 0.362 0.00 0.00 -0.373 OA ENDBRANCH 1 14 BRANCH 6 18 ATOM 18 C LIG 1 3.473 -1.446 4.080 0.00 0.00 +0.287 A ATOM 19 O LIG 1 4.503 -0.559 4.121 0.00 0.00 -0.385 OA ATOM 20 C LIG 1 5.230 -0.949 5.200 0.00 0.00 +0.436 A ATOM 21 O LIG 1 6.250 -0.420 5.604 0.00 0.00 -0.221 OA ATOM 22 N LIG 1 4.588 -2.035 5.726 0.00 0.00 -0.208 N ATOM 23 H LIG 1 4.883 -2.557 6.539 0.00 0.00 +0.195 HD ATOM 24 N LIG 1 3.473 -2.350 5.016 0.00 0.00 -0.127 NA ENDBRANCH 6 18 BRANCH 8 25 ATOM 25 N LIG 1 2.176 1.092 0.261 0.00 0.00 -0.324 N ATOM 26 H LIG 1 1.345 1.528 -0.110 0.00 0.00 +0.148 HD BRANCH 25 27 ATOM 27 C LIG 1 3.225 2.046 0.632 0.00 0.00 +0.072 C ATOM 28 C LIG 1 2.674 3.065 1.633 0.00 0.00 +0.028 C BRANCH 27 29 ATOM 29 C LIG 1 3.760 2.795 -0.598 0.00 0.00 +0.009 C ATOM 30 C LIG 1 2.785 3.517 -1.571 0.00 0.00 +0.005 C ATOM 31 C LIG 1 3.756 3.135 -2.708 0.00 0.00 +0.001 C ATOM 32 C LIG 1 4.218 1.957 -1.825 0.00 0.00 +0.005 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 8 25 BRANCH 2 33 ATOM 33 C LIG 1 -0.550 -0.226 -1.070 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 -1.780 0.700 -0.946 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -2.085 1.389 -2.293 0.00 0.00 +0.005 C ATOM 36 C LIG 1 -1.562 2.820 -2.348 0.00 0.00 +0.003 C ATOM 37 C LIG 1 -2.167 3.709 -1.246 0.00 0.00 -0.014 C ATOM 38 C LIG 1 -3.364 4.507 -1.764 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -2.566 2.907 0.005 0.00 0.00 +0.003 C ATOM 40 C LIG 1 -1.646 1.709 0.210 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 7