REMARK Name = BDB016871 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.495 0.204 -0.528 0.00 0.00 -0.236 N ATOM 2 C LIG 1 0.574 0.252 0.663 0.00 0.00 +0.162 C ATOM 3 C LIG 1 -0.733 0.119 -0.004 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.615 -0.077 -1.341 0.00 0.00 +0.149 A ATOM 5 N LIG 1 -1.818 -0.223 -1.936 0.00 0.00 -0.227 NA ATOM 6 C LIG 1 -2.699 -0.114 -0.948 0.00 0.00 +0.114 A ATOM 7 N LIG 1 -2.064 0.150 0.272 0.00 0.00 -0.326 N ATOM 8 C LIG 1 0.772 -0.058 -1.736 0.00 0.00 +0.273 C ATOM 9 O LIG 1 1.178 -0.230 -2.873 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 5.427 1.600 2.134 0.00 0.00 +0.048 C ATOM 11 C LIG 1 4.795 1.131 0.850 0.00 0.00 -0.001 A ATOM 12 C LIG 1 5.548 0.910 -0.334 0.00 0.00 +0.181 A ATOM 13 N LIG 1 4.877 0.502 -1.463 0.00 0.00 -0.195 N ATOM 14 C LIG 1 5.841 0.385 -2.435 0.00 0.00 +0.152 A ATOM 15 N LIG 1 7.017 0.699 -1.925 0.00 0.00 -0.132 NA ATOM 16 C LIG 1 5.541 -0.035 -3.819 0.00 0.00 +0.090 C ATOM 17 N LIG 1 3.548 0.259 -1.592 0.00 0.00 -0.148 NA ATOM 18 C LIG 1 2.860 0.443 -0.510 0.00 0.00 +0.150 A ATOM 19 N LIG 1 6.831 1.030 -0.601 0.00 0.00 -0.128 NA ATOM 20 C LIG 1 3.467 0.911 0.779 0.00 0.00 +0.053 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.857 -0.876 1.647 0.00 0.00 -0.021 A ATOM 22 C LIG 1 0.941 -2.217 1.226 0.00 0.00 +0.007 A ATOM 23 C LIG 1 1.199 -3.241 2.142 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.376 -2.938 3.488 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.690 -4.197 4.616 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 1.297 -1.619 3.928 0.00 0.00 +0.020 A ATOM 27 C LIG 1 1.038 -0.594 3.013 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.192 -0.243 -1.134 0.00 0.00 +0.059 C ATOM 29 C LIG 1 -4.796 1.121 -1.505 0.00 0.00 +0.039 C ATOM 30 C LIG 1 -6.087 0.937 -2.288 0.00 0.00 +0.160 C ATOM 31 O LIG 1 -5.909 0.225 -3.510 0.00 0.00 -0.380 OA ATOM 32 C LIG 1 -4.786 -0.660 -3.544 0.00 0.00 +0.160 C ATOM 33 C LIG 1 -4.533 -1.309 -2.192 0.00 0.00 +0.039 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.731 0.416 1.542 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -2.130 1.592 2.312 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -2.828 -0.840 2.403 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4