REMARK Name = BDB016682 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.422 0.254 0.241 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.124 0.004 -1.112 0.00 0.00 +0.031 A ATOM 3 C LIG 1 0.781 -0.078 -1.502 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -0.279 0.081 -0.621 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -1.457 -0.082 -1.419 0.00 0.00 +0.100 A ATOM 6 N LIG 1 -1.137 -0.286 -2.710 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 0.012 0.356 0.728 0.00 0.00 +0.012 A ATOM 8 N LIG 1 0.204 -0.310 -2.717 0.00 0.00 -0.276 N ATOM 9 H LIG 1 0.673 -0.483 -3.598 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 1.353 0.439 1.134 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 8.417 0.360 -0.272 0.00 0.00 +0.120 A ATOM 12 C LIG 1 7.148 0.473 0.309 0.00 0.00 +0.052 A ATOM 13 C LIG 1 6.244 -0.569 0.149 0.00 0.00 -0.007 A ATOM 14 C LIG 1 4.831 -0.778 0.621 0.00 0.00 +0.081 C ATOM 15 C LIG 1 3.857 0.380 0.699 0.00 0.00 +0.040 C ATOM 16 C LIG 1 4.478 -2.160 0.117 0.00 0.00 +0.228 C ATOM 17 N LIG 1 5.570 -2.620 -0.600 0.00 0.00 -0.284 N ATOM 18 H LIG 1 5.592 -3.534 -1.024 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 3.440 -2.763 0.332 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 4.338 -0.311 1.959 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.623 -1.704 -0.583 0.00 0.00 +0.038 A ATOM 22 C LIG 1 7.862 -1.849 -1.165 0.00 0.00 +0.027 A ATOM 23 C LIG 1 8.763 -0.795 -1.002 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 9.130 2.488 0.522 0.00 0.00 +0.277 C ATOM 25 O LIG 1 9.413 1.298 -0.204 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 C LIG 1 -2.856 -0.033 -0.995 0.00 0.00 +0.003 A ATOM 27 C LIG 1 -3.275 -0.629 0.194 0.00 0.00 +0.012 A ATOM 28 C LIG 1 -4.620 -0.568 0.589 0.00 0.00 +0.024 A ATOM 29 C LIG 1 -5.596 0.085 -0.180 0.00 0.00 +0.030 A ATOM 30 C LIG 1 -5.154 0.662 -1.381 0.00 0.00 +0.024 A ATOM 31 C LIG 1 -3.812 0.605 -1.787 0.00 0.00 +0.012 A BRANCH 29 32 ATOM 32 N LIG 1 -6.924 0.144 0.209 0.00 0.00 -0.327 N ATOM 33 C LIG 1 -7.469 -0.730 1.260 0.00 0.00 +0.120 C ATOM 34 C LIG 1 -8.999 -0.885 1.100 0.00 0.00 +0.100 C ATOM 35 N LIG 1 -9.773 0.371 1.126 0.00 0.00 -0.313 NA ATOM 36 H LIG 1 -10.551 0.276 0.474 0.00 0.00 +0.122 HD ATOM 37 C LIG 1 -8.939 1.519 0.730 0.00 0.00 +0.100 C ATOM 38 C LIG 1 -7.813 1.209 -0.284 0.00 0.00 +0.120 C ENDBRANCH 29 32 ENDBRANCH 5 26 TORSDOF 4