REMARK Name = BDB016848 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.452 0.746 -0.519 0.00 0.00 -0.253 N ATOM 2 C LIG 1 0.528 -0.434 -0.444 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.762 0.272 -0.328 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.633 1.619 -0.289 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.833 2.227 -0.165 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.717 1.234 -0.112 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -2.092 -0.011 -0.246 0.00 0.00 -0.323 N ATOM 8 C LIG 1 0.756 1.989 -0.402 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.185 3.131 -0.414 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 10 C LIG 1 5.315 -2.204 -1.647 0.00 0.00 +0.046 C ATOM 11 C LIG 1 4.803 -0.833 -1.316 0.00 0.00 -0.019 A ATOM 12 C LIG 1 5.632 0.295 -1.221 0.00 0.00 +0.116 A ATOM 13 N LIG 1 6.986 0.429 -1.388 0.00 0.00 -0.129 NA ATOM 14 N LIG 1 7.304 1.701 -1.189 0.00 0.00 -0.065 NA ATOM 15 N LIG 1 6.166 2.361 -0.909 0.00 0.00 -0.247 N ATOM 16 C LIG 1 6.195 3.774 -0.638 0.00 0.00 +0.175 C ATOM 17 C LIG 1 5.080 1.527 -0.909 0.00 0.00 +0.091 A ATOM 18 C LIG 1 3.713 1.722 -0.670 0.00 0.00 +0.053 A ATOM 19 C LIG 1 2.857 0.612 -0.755 0.00 0.00 +0.040 A ATOM 20 C LIG 1 3.419 -0.639 -1.079 0.00 0.00 +0.029 A ENDBRANCH 1 19 BRANCH 2 21 ATOM 21 C LIG 1 0.787 -1.349 0.743 0.00 0.00 -0.021 A ATOM 22 C LIG 1 1.021 -0.840 2.033 0.00 0.00 +0.007 A ATOM 23 C LIG 1 1.236 -1.700 3.112 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.215 -3.078 2.915 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.473 -4.138 4.244 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 0.981 -3.603 1.647 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.767 -2.744 0.566 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.127 1.371 0.030 0.00 0.00 -0.005 C ATOM 29 C LIG 1 -5.041 1.790 -1.100 0.00 0.00 +0.066 C ATOM 30 C LIG 1 -6.504 1.526 -0.756 0.00 0.00 +0.165 C ATOM 31 O LIG 1 -6.814 2.087 0.518 0.00 0.00 -0.375 OA ATOM 32 C LIG 1 -6.101 1.448 1.578 0.00 0.00 +0.187 C ATOM 33 C LIG 1 -4.649 1.238 1.265 0.00 0.00 +0.008 C ENDBRANCH 6 28 BRANCH 7 34 ATOM 34 C LIG 1 -2.652 -1.356 -0.310 0.00 0.00 +0.083 C ATOM 35 C LIG 1 -3.060 -1.895 1.061 0.00 0.00 +0.030 C ATOM 36 C LIG 1 -3.761 -1.535 -1.346 0.00 0.00 +0.030 C ENDBRANCH 7 34 TORSDOF 4