REMARK Name = BDB010909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.699 0.938 -0.266 0.00 0.00 -0.322 N ATOM 2 C LIG 1 1.671 -0.013 -0.016 0.00 0.00 +0.114 A ATOM 3 C LIG 1 2.423 0.539 1.008 0.00 0.00 +0.183 A ATOM 4 N LIG 1 3.438 -0.080 1.628 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 3.670 -1.307 1.154 0.00 0.00 +0.220 A ATOM 6 N LIG 1 3.019 -1.927 0.144 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 2.022 1.807 1.291 0.00 0.00 -0.209 NA ATOM 8 C LIG 1 2.012 -1.278 -0.485 0.00 0.00 +0.102 A ATOM 9 C LIG 1 1.031 2.074 0.460 0.00 0.00 +0.150 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 4.763 -2.062 1.801 0.00 0.00 +0.287 A ATOM 11 O LIG 1 4.985 -3.310 1.309 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 6.016 -3.779 2.060 0.00 0.00 +0.436 A ATOM 13 O LIG 1 6.538 -4.874 1.951 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 6.335 -2.785 2.942 0.00 0.00 -0.208 N ATOM 15 H LIG 1 7.066 -2.829 3.639 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 5.539 -1.696 2.778 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 1.417 -1.968 -1.618 0.00 0.00 +0.022 A ATOM 18 C LIG 1 1.495 -1.463 -2.923 0.00 0.00 +0.033 A ATOM 19 C LIG 1 0.912 -2.163 -3.976 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 0.978 -1.544 -5.574 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 0.271 -3.360 -3.701 0.00 0.00 +0.130 A ATOM 22 N LIG 1 0.186 -3.894 -2.462 0.00 0.00 -0.261 NA ATOM 23 C LIG 1 0.777 -3.198 -1.459 0.00 0.00 +0.120 A ENDBRANCH 8 17 BRANCH 9 24 ATOM 24 C LIG 1 0.368 3.415 0.322 0.00 0.00 +0.169 C ATOM 25 C LIG 1 1.270 4.579 0.731 0.00 0.00 +0.048 C ATOM 26 C LIG 1 0.279 5.719 0.913 0.00 0.00 +0.004 C ATOM 27 C LIG 1 -0.913 5.062 1.597 0.00 0.00 +0.004 C ATOM 28 C LIG 1 -0.868 3.581 1.208 0.00 0.00 +0.048 C ATOM 29 F LIG 1 -0.003 3.640 -0.976 0.00 0.00 -0.234 F ENDBRANCH 9 24 BRANCH 1 30 ATOM 30 C LIG 1 -0.485 0.766 -1.096 0.00 0.00 +0.127 C BRANCH 30 35 ATOM 31 C LIG 1 -5.210 -2.255 0.607 0.00 0.00 +0.007 C ATOM 32 C LIG 1 -4.239 -1.188 0.106 0.00 0.00 -0.014 C ATOM 33 C LIG 1 -3.525 -1.659 -1.166 0.00 0.00 +0.003 C ATOM 34 C LIG 1 -2.506 -0.632 -1.655 0.00 0.00 +0.005 C ATOM 35 C LIG 1 -1.485 -0.280 -0.563 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.208 0.205 0.703 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -3.225 -0.824 1.198 0.00 0.00 +0.003 C ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 5