REMARK Name = BDB018597 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.647 0.281 -0.722 0.00 0.00 +0.032 C ATOM 2 C LIG 1 -1.032 0.727 0.605 0.00 0.00 +0.104 C ATOM 3 N LIG 1 -1.317 2.122 0.880 0.00 0.00 -0.308 N ATOM 4 C LIG 1 -0.442 3.126 0.539 0.00 0.00 +0.151 A ATOM 5 N LIG 1 -0.927 4.271 0.964 0.00 0.00 -0.133 NA ATOM 6 N LIG 1 -2.102 4.011 1.619 0.00 0.00 -0.132 NA ATOM 7 C LIG 1 0.868 2.892 -0.128 0.00 0.00 +0.184 C ATOM 8 N LIG 1 1.157 1.465 -0.313 0.00 0.00 -0.288 N ATOM 9 C LIG 1 2.301 1.165 -1.049 0.00 0.00 +0.250 C ATOM 10 O LIG 1 3.033 2.017 -1.546 0.00 0.00 -0.270 OA ATOM 11 C LIG 1 -2.332 2.708 1.591 0.00 0.00 +0.157 A ATOM 12 C LIG 1 0.492 0.522 0.596 0.00 0.00 +0.133 C ENDROOT BRANCH 11 13 ATOM 13 C LIG 1 -3.459 2.063 2.335 0.00 0.00 +0.176 C ATOM 14 N LIG 1 -4.127 0.980 1.647 0.00 0.00 -0.227 N ATOM 15 C LIG 1 -4.984 1.261 0.608 0.00 0.00 +0.406 C ATOM 16 O LIG 1 -5.076 2.364 0.089 0.00 0.00 -0.226 OA ATOM 17 C LIG 1 -4.191 -0.193 2.500 0.00 0.00 +0.136 C ATOM 18 C LIG 1 -3.900 -1.523 1.802 0.00 0.00 +0.063 C ATOM 19 C LIG 1 -5.511 -0.287 3.281 0.00 0.00 +0.063 C ATOM 20 O LIG 1 -3.123 0.011 3.454 0.00 0.00 -0.354 OA ATOM 21 C LIG 1 -2.993 1.435 3.642 0.00 0.00 +0.193 C BRANCH 15 22 ATOM 22 O LIG 1 -5.699 0.176 0.226 0.00 0.00 -0.444 OA BRANCH 22 23 ATOM 23 C LIG 1 -6.653 0.249 -0.865 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -7.245 -1.166 -0.953 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.956 0.571 -2.191 0.00 0.00 +0.055 C ATOM 26 C LIG 1 -7.787 1.232 -0.552 0.00 0.00 +0.055 C ENDBRANCH 22 23 ENDBRANCH 15 22 ENDBRANCH 11 13 BRANCH 9 27 ATOM 27 C LIG 1 2.681 -0.240 -1.236 0.00 0.00 +0.072 A ATOM 28 C LIG 1 1.930 -1.061 -2.071 0.00 0.00 +0.135 A ATOM 29 F LIG 1 0.833 -0.598 -2.686 0.00 0.00 -0.205 F ATOM 30 C LIG 1 2.297 -2.387 -2.261 0.00 0.00 +0.039 A ATOM 31 C LIG 1 3.431 -2.891 -1.617 0.00 0.00 +0.007 A ATOM 32 C LIG 1 4.216 -2.067 -0.792 0.00 0.00 -0.041 A ATOM 33 C LIG 1 3.825 -0.733 -0.599 0.00 0.00 +0.020 A BRANCH 32 34 ATOM 34 C LIG 1 5.418 -2.650 -0.080 0.00 0.00 +0.093 C BRANCH 34 35 ATOM 35 C LIG 1 6.614 -1.712 0.008 0.00 0.00 +0.074 A ATOM 36 C LIG 1 7.483 -1.499 -1.178 0.00 0.00 +0.011 A ATOM 37 C LIG 1 8.571 -0.643 -1.021 0.00 0.00 +0.050 A ATOM 38 C LIG 1 9.441 -0.391 -2.089 0.00 0.00 +0.014 A ATOM 39 C LIG 1 9.216 -0.999 -3.324 0.00 0.00 +0.001 A ATOM 40 C LIG 1 8.127 -1.854 -3.487 0.00 0.00 +0.001 A ATOM 41 C LIG 1 8.798 0.000 0.283 0.00 0.00 +0.272 A ATOM 42 O LIG 1 9.751 0.748 0.472 0.00 0.00 -0.266 OA ATOM 43 N LIG 1 7.883 -0.288 1.266 0.00 0.00 -0.242 N ATOM 44 H LIG 1 8.022 0.154 2.170 0.00 0.00 +0.192 HD ATOM 45 C LIG 1 7.259 -2.105 -2.420 0.00 0.00 +0.010 A ATOM 46 N LIG 1 6.819 -1.125 1.152 0.00 0.00 -0.175 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 9 27 TORSDOF 6