REMARK Name = BDB016930 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.087 -1.067 0.699 0.00 0.00 +0.144 A ATOM 2 N LIG 1 2.296 0.075 0.586 0.00 0.00 -0.339 N ATOM 3 H LIG 1 2.655 1.022 0.550 0.00 0.00 +0.167 HD ATOM 4 C LIG 1 1.020 -0.354 0.511 0.00 0.00 +0.074 A ATOM 5 C LIG 1 -0.332 0.202 0.364 0.00 0.00 +0.162 C ATOM 6 N LIG 1 -1.103 -1.078 0.354 0.00 0.00 -0.237 N ATOM 7 C LIG 1 -0.287 -2.230 0.469 0.00 0.00 +0.273 C ATOM 8 O LIG 1 -0.596 -3.410 0.501 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 1.055 -1.708 0.564 0.00 0.00 +0.150 A ATOM 10 N LIG 1 2.326 -2.164 0.690 0.00 0.00 -0.223 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.517 -1.043 0.371 0.00 0.00 +0.131 A ATOM 12 N LIG 1 -3.076 0.192 0.413 0.00 0.00 -0.211 NA ATOM 13 C LIG 1 -4.421 0.186 0.409 0.00 0.00 +0.180 A ATOM 14 C LIG 1 -5.269 -0.909 0.391 0.00 0.00 +0.134 A ATOM 15 N LIG 1 -6.570 -0.478 0.405 0.00 0.00 -0.128 NA ATOM 16 N LIG 1 -6.565 0.851 0.420 0.00 0.00 -0.063 NA ATOM 17 C LIG 1 -4.693 -2.184 0.360 0.00 0.00 -0.016 A ATOM 18 C LIG 1 -5.481 -3.457 0.333 0.00 0.00 +0.046 C ATOM 19 N LIG 1 -5.276 1.249 0.414 0.00 0.00 -0.230 N ATOM 20 C LIG 1 -4.951 2.647 0.410 0.00 0.00 +0.176 C ATOM 21 C LIG 1 -3.281 -2.218 0.346 0.00 0.00 +0.049 A ENDBRANCH 6 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.464 1.047 -0.891 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -0.571 2.444 -0.772 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -0.676 3.251 -1.908 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -0.671 2.669 -3.173 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -0.802 3.664 -4.570 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -0.561 1.288 -3.313 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.455 0.480 -2.178 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 30 ATOM 29 C LIG 1 5.328 0.126 0.779 0.00 0.00 +0.225 A ATOM 30 C LIG 1 4.551 -1.040 0.810 0.00 0.00 +0.079 A ATOM 31 C LIG 1 5.242 -2.250 0.959 0.00 0.00 +0.018 A ATOM 32 C LIG 1 6.630 -2.263 1.070 0.00 0.00 +0.021 A ATOM 33 C LIG 1 7.298 -1.053 1.029 0.00 0.00 +0.114 A ATOM 34 N LIG 1 6.680 0.139 0.889 0.00 0.00 -0.221 NA BRANCH 29 36 ATOM 35 C LIG 1 5.566 2.454 0.569 0.00 0.00 +0.279 C ATOM 36 O LIG 1 4.676 1.341 0.630 0.00 0.00 -0.479 OA ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 4