REMARK Name = BDB016818 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.479 0.930 -0.464 0.00 0.00 -0.252 N ATOM 2 C LIG 1 0.626 -0.046 0.312 0.00 0.00 +0.161 C ATOM 3 C LIG 1 -0.712 0.537 0.086 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -0.674 1.631 -0.716 0.00 0.00 +0.150 A ATOM 5 N LIG 1 -1.901 2.162 -0.904 0.00 0.00 -0.223 NA ATOM 6 C LIG 1 -2.720 1.377 -0.212 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -2.009 0.376 0.468 0.00 0.00 -0.323 N ATOM 8 C LIG 1 0.681 1.931 -1.105 0.00 0.00 +0.272 C ATOM 9 O LIG 1 1.020 2.872 -1.803 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 18 ATOM 10 C LIG 1 5.725 2.549 -2.507 0.00 0.00 +0.047 C ATOM 11 C LIG 1 5.012 1.680 -1.502 0.00 0.00 -0.004 A ATOM 12 C LIG 1 5.716 0.818 -0.606 0.00 0.00 +0.164 A ATOM 13 N LIG 1 4.976 0.044 0.266 0.00 0.00 -0.285 N ATOM 14 C LIG 1 5.906 -0.680 0.981 0.00 0.00 +0.135 A ATOM 15 N LIG 1 7.117 -0.357 0.573 0.00 0.00 -0.134 NA ATOM 16 C LIG 1 5.570 -1.663 2.034 0.00 0.00 +0.088 C ATOM 17 C LIG 1 3.586 0.066 0.333 0.00 0.00 +0.118 A ATOM 18 C LIG 1 2.876 0.870 -0.487 0.00 0.00 +0.055 A ATOM 19 N LIG 1 6.997 0.583 -0.423 0.00 0.00 -0.129 NA ATOM 20 C LIG 1 3.658 1.687 -1.430 0.00 0.00 +0.032 A ENDBRANCH 1 18 BRANCH 2 21 ATOM 21 C LIG 1 0.753 -1.472 -0.204 0.00 0.00 -0.021 A ATOM 22 C LIG 1 1.069 -2.517 0.684 0.00 0.00 +0.007 A ATOM 23 C LIG 1 1.193 -3.830 0.225 0.00 0.00 +0.020 A ATOM 24 C LIG 1 1.002 -4.115 -1.125 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 1.151 -5.734 -1.686 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 0.690 -3.096 -2.021 0.00 0.00 +0.020 A ATOM 27 C LIG 1 0.566 -1.782 -1.563 0.00 0.00 +0.007 A ENDBRANCH 2 21 BRANCH 6 28 ATOM 28 C LIG 1 -4.140 1.498 -0.105 0.00 0.00 -0.006 C ATOM 29 C LIG 1 -5.135 0.471 -0.608 0.00 0.00 +0.053 C ATOM 30 C LIG 1 -6.531 1.068 -0.836 0.00 0.00 +0.086 C ATOM 31 N LIG 1 -6.956 1.880 0.308 0.00 0.00 -0.312 NA ATOM 32 H LIG 1 -6.918 1.316 1.155 0.00 0.00 +0.122 HD ATOM 33 C LIG 1 -6.058 3.025 0.473 0.00 0.00 +0.109 C ATOM 34 C LIG 1 -4.604 2.676 0.363 0.00 0.00 -0.005 C ENDBRANCH 6 28 BRANCH 7 35 ATOM 35 C LIG 1 -2.553 -0.562 1.445 0.00 0.00 +0.083 C ATOM 36 C LIG 1 -2.759 -1.954 0.850 0.00 0.00 +0.030 C ATOM 37 C LIG 1 -1.747 -0.619 2.744 0.00 0.00 +0.030 C ENDBRANCH 7 35 TORSDOF 4