REMARK Name = BDB037544 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.279 -1.787 1.621 0.00 0.00 -0.254 N ATOM 2 C LIG 1 0.034 -1.160 1.498 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.189 0.032 0.841 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -1.510 0.423 1.189 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -2.067 -0.503 1.992 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.854 0.712 0.028 0.00 0.00 +0.084 C ATOM 7 C LIG 1 2.254 0.277 0.501 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -1.226 -1.570 1.923 0.00 0.00 -0.217 N ATOM 9 C LIG 1 2.363 -1.207 0.943 0.00 0.00 +0.242 C ATOM 10 O LIG 1 3.432 -1.811 0.783 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.190 1.688 0.840 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.586 1.717 0.809 0.00 0.00 -0.278 N ATOM 13 C LIG 1 -4.238 3.035 0.702 0.00 0.00 +0.193 C ATOM 14 C LIG 1 -5.770 2.905 0.476 0.00 0.00 +0.118 C ATOM 15 N LIG 1 -6.185 2.001 -0.612 0.00 0.00 -0.312 NA ATOM 16 H LIG 1 -6.181 2.496 -1.505 0.00 0.00 +0.122 HD ATOM 17 C LIG 1 -5.319 0.815 -0.716 0.00 0.00 +0.100 C ATOM 18 C LIG 1 -4.423 0.548 0.511 0.00 0.00 +0.124 C ATOM 19 O LIG 1 -1.539 2.703 0.595 0.00 0.00 -0.268 OA BRANCH 13 20 ATOM 20 C LIG 1 -4.021 3.862 1.915 0.00 0.00 +0.086 C ATOM 21 N LIG 1 -3.893 4.514 2.868 0.00 0.00 -0.195 NA ENDBRANCH 13 20 ENDBRANCH 4 11 BRANCH 6 22 ATOM 22 C LIG 1 0.494 0.385 -1.419 0.00 0.00 -0.037 A ATOM 23 C LIG 1 0.017 1.424 -2.244 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -0.324 1.184 -3.575 0.00 0.00 +0.038 A ATOM 25 C LIG 1 -0.192 -0.096 -4.095 0.00 0.00 +0.123 A ATOM 26 F LIG 1 -0.521 -0.329 -5.372 0.00 0.00 -0.205 F ATOM 27 C LIG 1 0.278 -1.139 -3.308 0.00 0.00 +0.038 A ATOM 28 C LIG 1 0.622 -0.902 -1.975 0.00 0.00 +0.007 A ENDBRANCH 6 22 BRANCH 8 29 ATOM 29 C LIG 1 -1.778 -2.873 2.066 0.00 0.00 +0.067 A ATOM 30 C LIG 1 -2.930 -3.049 2.847 0.00 0.00 +0.028 A ATOM 31 C LIG 1 -3.509 -4.313 2.964 0.00 0.00 +0.002 A ATOM 32 C LIG 1 -2.958 -5.400 2.287 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -1.833 -5.224 1.482 0.00 0.00 +0.002 A ATOM 34 C LIG 1 -1.246 -3.962 1.361 0.00 0.00 +0.028 A ENDBRANCH 8 29 BRANCH 7 35 ATOM 35 N LIG 1 3.335 0.539 -0.454 0.00 0.00 -0.298 N ATOM 36 H LIG 1 4.010 -0.209 -0.571 0.00 0.00 +0.150 HD ATOM 37 C LIG 1 3.690 1.823 -0.812 0.00 0.00 +0.265 C ATOM 38 O LIG 1 3.050 2.795 -0.418 0.00 0.00 -0.268 OA BRANCH 37 39 ATOM 39 C LIG 1 4.885 1.927 -1.677 0.00 0.00 +0.147 A ATOM 40 N LIG 1 5.465 3.116 -1.931 0.00 0.00 -0.160 NA ATOM 41 N LIG 1 6.510 2.837 -2.751 0.00 0.00 -0.178 N ATOM 42 C LIG 1 6.610 1.497 -3.030 0.00 0.00 +0.118 A ATOM 43 C LIG 1 5.580 0.886 -2.357 0.00 0.00 +0.054 A BRANCH 41 44 ATOM 44 C LIG 1 7.394 3.898 -3.260 0.00 0.00 +0.506 C ATOM 45 F LIG 1 6.745 4.740 -4.107 0.00 0.00 -0.149 F ATOM 46 F LIG 1 7.927 4.650 -2.261 0.00 0.00 -0.149 F ATOM 47 F LIG 1 8.445 3.381 -3.958 0.00 0.00 -0.149 F ENDBRANCH 41 44 ENDBRANCH 37 39 ENDBRANCH 7 35 BRANCH 1 49 ATOM 48 C LIG 1 2.358 -2.435 3.755 0.00 0.00 +0.025 C ATOM 49 C LIG 1 1.589 -2.900 2.522 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 8