REMARK Name = BDB032168 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.814 -2.951 -2.111 0.00 0.00 +0.126 A ATOM 2 C LIG 1 -1.777 -2.111 -1.583 0.00 0.00 +0.024 A ATOM 3 C LIG 1 -3.099 -2.449 -0.982 0.00 0.00 +0.148 C ATOM 4 N LIG 1 -3.662 -1.138 -0.683 0.00 0.00 -0.281 N ATOM 5 C LIG 1 -2.744 -0.121 -0.898 0.00 0.00 +0.248 C ATOM 6 O LIG 1 -2.841 1.056 -0.614 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 -1.568 -0.735 -1.525 0.00 0.00 +0.045 A ATOM 8 C LIG 1 -0.413 -0.135 -1.985 0.00 0.00 +0.020 A ATOM 9 C LIG 1 0.574 -0.964 -2.537 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.368 -2.366 -2.587 0.00 0.00 +0.053 A ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -4.860 -1.000 0.138 0.00 0.00 +0.163 C ATOM 12 C LIG 1 -4.508 -0.938 1.633 0.00 0.00 +0.240 C ATOM 13 O LIG 1 -3.535 -1.507 2.128 0.00 0.00 -0.273 OA ATOM 14 N LIG 1 -5.420 -0.299 2.440 0.00 0.00 -0.255 N ATOM 15 H LIG 1 -5.208 -0.299 3.428 0.00 0.00 +0.158 HD ATOM 16 C LIG 1 -6.639 0.224 2.084 0.00 0.00 +0.219 C ATOM 17 O LIG 1 -7.428 0.624 2.936 0.00 0.00 -0.275 OA ATOM 18 C LIG 1 -6.990 0.190 0.615 0.00 0.00 +0.098 C ATOM 19 C LIG 1 -5.742 0.185 -0.253 0.00 0.00 +0.041 C ENDBRANCH 4 11 BRANCH 1 21 ATOM 20 C LIG 1 -0.108 -5.171 -2.570 0.00 0.00 +0.277 C ATOM 21 O LIG 1 -1.118 -4.279 -2.111 0.00 0.00 -0.495 OA ENDBRANCH 1 21 BRANCH 9 22 ATOM 22 C LIG 1 1.871 -0.367 -3.023 0.00 0.00 +0.269 C BRANCH 22 23 ATOM 23 O LIG 1 2.779 -0.286 -1.918 0.00 0.00 -0.445 OA BRANCH 23 24 ATOM 24 C LIG 1 2.985 0.955 -1.405 0.00 0.00 +0.405 C ATOM 25 N LIG 1 3.823 0.832 -0.333 0.00 0.00 -0.251 N ATOM 26 H LIG 1 4.095 -0.123 -0.144 0.00 0.00 +0.158 HD ATOM 27 O LIG 1 2.487 1.975 -1.853 0.00 0.00 -0.226 OA BRANCH 25 28 ATOM 28 C LIG 1 4.300 1.840 0.522 0.00 0.00 +0.040 A ATOM 29 C LIG 1 5.137 1.447 1.577 0.00 0.00 +0.072 A ATOM 30 C LIG 1 5.656 2.381 2.486 0.00 0.00 +0.167 A ATOM 31 C LIG 1 5.322 3.724 2.321 0.00 0.00 +0.165 A ATOM 32 F LIG 1 5.780 4.669 3.151 0.00 0.00 -0.202 F ATOM 33 C LIG 1 4.494 4.130 1.278 0.00 0.00 +0.044 A ATOM 34 C LIG 1 3.983 3.191 0.380 0.00 0.00 +0.026 A BRANCH 30 35 ATOM 35 O LIG 1 6.450 1.833 3.452 0.00 0.00 -0.403 OA BRANCH 35 36 ATOM 36 C LIG 1 7.017 2.696 4.427 0.00 0.00 +0.575 C ATOM 37 F LIG 1 7.842 3.599 3.861 0.00 0.00 -0.133 F ATOM 38 F LIG 1 7.756 1.940 5.272 0.00 0.00 -0.133 F ATOM 39 F LIG 1 6.061 3.308 5.154 0.00 0.00 -0.133 F ENDBRANCH 35 36 ENDBRANCH 30 35 ENDBRANCH 25 28 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 9 22 TORSDOF 8