REMARK Name = BDB016928 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.560 0.694 0.118 0.00 0.00 -0.237 N ATOM 2 C LIG 1 0.630 -0.422 0.442 0.00 0.00 +0.162 C ATOM 3 C LIG 1 -0.656 0.271 0.238 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.508 1.549 -0.191 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.703 2.150 -0.375 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.605 1.230 -0.042 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -1.994 0.039 0.363 0.00 0.00 -0.323 N ATOM 8 C LIG 1 0.894 1.879 -0.302 0.00 0.00 +0.273 C ATOM 9 O LIG 1 1.334 2.959 -0.659 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 5.595 -1.837 1.582 0.00 0.00 +0.046 C ATOM 11 C LIG 1 4.979 -0.615 0.976 0.00 0.00 -0.016 A ATOM 12 C LIG 1 5.714 0.487 0.525 0.00 0.00 +0.134 A ATOM 13 N LIG 1 7.056 0.763 0.498 0.00 0.00 -0.128 NA ATOM 14 N LIG 1 7.218 1.970 -0.038 0.00 0.00 -0.063 NA ATOM 15 N LIG 1 5.991 2.445 -0.342 0.00 0.00 -0.230 N ATOM 16 C LIG 1 5.837 3.742 -0.938 0.00 0.00 +0.176 C ATOM 17 C LIG 1 5.015 1.552 -0.011 0.00 0.00 +0.180 A ATOM 18 N LIG 1 3.687 1.673 -0.164 0.00 0.00 -0.211 NA ATOM 19 C LIG 1 2.968 0.618 0.261 0.00 0.00 +0.131 A ATOM 20 C LIG 1 3.576 -0.514 0.831 0.00 0.00 +0.049 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 0.788 -1.633 -0.466 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.811 -2.925 0.090 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.946 -4.051 -0.726 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.055 -3.898 -2.106 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.218 -5.286 -3.108 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.030 -2.629 -2.677 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.895 -1.502 -1.862 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.019 1.386 -0.097 0.00 0.00 -0.005 C ATOM 29 C LIG 1 -4.886 1.785 1.075 0.00 0.00 +0.066 C ATOM 30 C LIG 1 -6.176 2.453 0.606 0.00 0.00 +0.165 C ATOM 31 O LIG 1 -6.805 1.623 -0.372 0.00 0.00 -0.375 OA ATOM 32 C LIG 1 -6.039 1.566 -1.578 0.00 0.00 +0.187 C ATOM 33 C LIG 1 -4.581 1.326 -1.323 0.00 0.00 +0.008 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.571 -1.208 0.852 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -2.868 -1.145 2.350 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.754 -1.749 0.050 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4