REMARK Name = BDB016862 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.422 -1.068 -0.660 0.00 0.00 -0.253 N ATOM 2 C LIG 1 0.597 -0.151 0.214 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.761 -0.533 -0.222 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.748 -1.431 -1.243 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.991 -1.847 -1.575 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.786 -1.259 -0.689 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -2.070 -0.365 0.114 0.00 0.00 -0.318 N ATOM 8 C LIG 1 0.607 -1.772 -1.601 0.00 0.00 +0.272 C ATOM 9 O LIG 1 0.922 -2.531 -2.502 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 5.556 1.545 1.338 0.00 0.00 +0.154 C ATOM 11 N LIG 1 5.926 0.177 1.030 0.00 0.00 -0.231 N ATOM 12 C LIG 1 4.997 -0.758 0.434 0.00 0.00 +0.148 C ATOM 13 C LIG 1 5.527 -0.728 -0.979 0.00 0.00 +0.178 C ATOM 14 C LIG 1 4.894 -1.852 -1.716 0.00 0.00 +0.005 C ATOM 15 C LIG 1 3.574 -2.045 -1.488 0.00 0.00 +0.021 C ATOM 16 C LIG 1 2.809 -1.186 -0.545 0.00 0.00 +0.035 C ATOM 17 N LIG 1 6.965 -0.703 -0.694 0.00 0.00 -0.162 NA ATOM 18 C LIG 1 3.520 -0.566 0.433 0.00 0.00 +0.023 C ATOM 19 N LIG 1 7.142 0.030 0.336 0.00 0.00 -0.083 NA ENDBRANCH 1 16 BRANCH 2 20 ATOM 20 C LIG 1 0.925 1.316 -0.028 0.00 0.00 -0.021 A ATOM 21 C LIG 1 0.907 1.876 -1.319 0.00 0.00 +0.007 A ATOM 22 C LIG 1 1.230 3.220 -1.520 0.00 0.00 +0.020 A ATOM 23 C LIG 1 1.576 4.021 -0.435 0.00 0.00 +0.041 A ATOM 24 CL LIG 1 1.978 5.674 -0.684 0.00 0.00 -0.084 Cl ATOM 25 C LIG 1 1.602 3.488 0.851 0.00 0.00 +0.020 A ATOM 26 C LIG 1 1.280 2.144 1.054 0.00 0.00 +0.007 A ENDBRANCH 2 20 BRANCH 6 27 ATOM 27 C LIG 1 -4.171 -1.518 -0.477 0.00 0.00 -0.004 C ATOM 28 C LIG 1 -4.717 -2.306 0.696 0.00 0.00 +0.066 C ATOM 29 C LIG 1 -6.116 -2.844 0.404 0.00 0.00 +0.165 C ATOM 30 O LIG 1 -6.931 -1.788 -0.104 0.00 0.00 -0.375 OA ATOM 31 C LIG 1 -6.497 -1.372 -1.402 0.00 0.00 +0.187 C ATOM 32 C LIG 1 -5.018 -1.132 -1.452 0.00 0.00 +0.008 C ENDBRANCH 6 27 BRANCH 7 33 ATOM 33 C LIG 1 -2.589 0.406 1.257 0.00 0.00 +0.140 C ATOM 34 C LIG 1 -2.050 1.838 1.380 0.00 0.00 +0.187 C ATOM 35 O LIG 1 -3.388 2.336 1.647 0.00 0.00 -0.376 OA ATOM 36 C LIG 1 -3.924 1.141 1.013 0.00 0.00 +0.187 C ENDBRANCH 7 33 TORSDOF 4