REMARK Name = BDB005387 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.449 -1.015 0.533 0.00 0.00 +0.149 A ATOM 2 N LIG 1 0.549 0.035 0.743 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.683 -0.525 0.616 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -2.102 -0.117 0.651 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.749 -1.464 0.472 0.00 0.00 -0.248 N ATOM 6 C LIG 1 -1.786 -2.507 0.311 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.965 -3.703 0.146 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 -0.506 -1.852 0.416 0.00 0.00 +0.150 A ATOM 9 N LIG 1 0.806 -2.174 0.386 0.00 0.00 -0.222 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.136 -1.653 0.475 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -5.061 -0.584 1.066 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -4.609 0.380 1.683 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -6.436 -0.778 0.902 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -7.357 0.217 1.432 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.959 -1.942 0.374 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -6.160 -2.920 -0.064 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.813 -4.372 -0.716 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.730 -2.756 -0.023 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 1 20 ATOM 19 C LIG 1 3.633 -0.410 -0.538 0.00 0.00 +0.230 A ATOM 20 C LIG 1 2.897 -0.908 0.514 0.00 0.00 +0.097 A ATOM 21 C LIG 1 3.660 -1.374 1.557 0.00 0.00 +0.131 A ATOM 22 N LIG 1 5.006 -1.292 1.603 0.00 0.00 -0.222 NA ATOM 23 C LIG 1 5.641 -0.754 0.547 0.00 0.00 +0.220 A ATOM 24 N LIG 1 4.979 -0.308 -0.533 0.00 0.00 -0.179 NA BRANCH 23 25 ATOM 25 N LIG 1 7.030 -0.628 0.587 0.00 0.00 -0.306 N ATOM 26 C LIG 1 7.684 -1.506 1.545 0.00 0.00 +0.132 C ATOM 27 C LIG 1 7.659 -0.506 -0.719 0.00 0.00 +0.132 C ENDBRANCH 23 25 BRANCH 19 29 ATOM 28 C LIG 1 3.786 0.408 -2.735 0.00 0.00 +0.279 C ATOM 29 O LIG 1 2.940 0.021 -1.657 0.00 0.00 -0.479 OA ENDBRANCH 19 29 ENDBRANCH 1 20 BRANCH 4 30 ATOM 30 C LIG 1 -2.431 0.863 -0.467 0.00 0.00 -0.021 A ATOM 31 C LIG 1 -2.302 0.513 -1.823 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -2.590 1.438 -2.831 0.00 0.00 +0.019 A ATOM 33 C LIG 1 -3.012 2.728 -2.501 0.00 0.00 +0.052 A ATOM 34 C LIG 1 -3.143 3.090 -1.158 0.00 0.00 +0.019 A ATOM 35 C LIG 1 -2.853 2.165 -0.150 0.00 0.00 +0.007 A BRANCH 33 36 ATOM 36 C LIG 1 -3.309 3.677 -3.534 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -3.549 4.448 -4.367 0.00 0.00 -0.191 NA ENDBRANCH 33 36 ENDBRANCH 4 30 BRANCH 2 38 ATOM 38 C LIG 1 0.791 1.428 1.101 0.00 0.00 +0.083 C ATOM 39 C LIG 1 1.232 2.287 -0.081 0.00 0.00 +0.030 C ATOM 40 C LIG 1 1.713 1.606 2.308 0.00 0.00 +0.030 C ENDBRANCH 2 38 TORSDOF 7