REMARK Name = BDB019745 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.035 -0.080 -0.246 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.279 0.420 0.149 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.284 -0.441 0.630 0.00 0.00 +0.012 A ATOM 4 C LIG 1 -2.042 -1.826 0.676 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -0.801 -2.324 0.264 0.00 0.00 +0.047 A ATOM 6 C LIG 1 0.199 -1.457 -0.194 0.00 0.00 +0.016 A ENDROOT BRANCH 1 9 ATOM 7 N LIG 1 2.309 0.503 -0.558 0.00 0.00 -0.307 N ATOM 8 H LIG 1 2.521 -0.243 0.089 0.00 0.00 +0.149 HD ATOM 9 C LIG 1 0.995 0.876 -0.739 0.00 0.00 +0.244 C ATOM 10 O LIG 1 0.663 1.942 -1.244 0.00 0.00 -0.270 OA BRANCH 7 11 ATOM 11 C LIG 1 3.372 1.422 -0.889 0.00 0.00 +0.140 C BRANCH 11 17 ATOM 12 C LIG 1 6.701 0.208 0.541 0.00 0.00 +0.139 A ATOM 13 C LIG 1 7.166 -0.578 -0.525 0.00 0.00 +0.083 A ATOM 14 CL LIG 1 8.674 -1.421 -0.435 0.00 0.00 -0.080 Cl ATOM 15 C LIG 1 6.417 -0.705 -1.698 0.00 0.00 +0.024 A ATOM 16 C LIG 1 5.194 -0.049 -1.819 0.00 0.00 +0.007 A ATOM 17 C LIG 1 4.712 0.745 -0.771 0.00 0.00 -0.027 A ATOM 18 C LIG 1 5.469 0.861 0.409 0.00 0.00 +0.052 A BRANCH 12 20 ATOM 19 C LIG 1 7.102 1.146 2.704 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.496 0.270 1.656 0.00 0.00 -0.494 OA ENDBRANCH 12 20 ENDBRANCH 11 17 ENDBRANCH 7 11 ENDBRANCH 1 9 BRANCH 4 21 ATOM 21 O LIG 1 -3.082 -2.600 1.118 0.00 0.00 -0.495 OA ATOM 22 C LIG 1 -2.871 -4.004 1.205 0.00 0.00 +0.277 C ENDBRANCH 4 21 BRANCH 3 23 ATOM 23 C LIG 1 -3.616 0.149 1.041 0.00 0.00 +0.143 C BRANCH 23 24 ATOM 24 N LIG 1 -4.481 0.235 -0.120 0.00 0.00 -0.313 N ATOM 25 H LIG 1 -4.535 -0.647 -0.617 0.00 0.00 +0.149 HD BRANCH 24 26 ATOM 26 C LIG 1 -5.680 0.847 -0.023 0.00 0.00 +0.176 C ATOM 27 N LIG 1 -6.467 0.682 -1.119 0.00 0.00 -0.316 N ATOM 28 H LIG 1 -5.950 0.745 -1.987 0.00 0.00 +0.149 HD ATOM 29 C LIG 1 -7.559 1.625 -0.992 0.00 0.00 +0.127 C ATOM 30 C LIG 1 -7.486 1.980 0.496 0.00 0.00 +0.163 C ATOM 31 N LIG 1 -6.127 1.579 0.952 0.00 0.00 -0.255 NA ENDBRANCH 24 26 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 8