REMARK Name = BDB051691 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.460 2.655 0.773 0.00 0.00 +0.111 A ATOM 2 N LIG 1 0.874 1.694 -0.028 0.00 0.00 -0.323 N ATOM 3 C LIG 1 -0.326 1.334 0.551 0.00 0.00 +0.070 A ATOM 4 C LIG 1 -0.388 2.097 1.712 0.00 0.00 +0.089 A ATOM 5 C LIG 1 -1.489 1.965 2.572 0.00 0.00 +0.030 A ATOM 6 C LIG 1 -2.511 1.066 2.236 0.00 0.00 +0.015 A ATOM 7 C LIG 1 -2.441 0.317 1.054 0.00 0.00 +0.039 A ATOM 8 C LIG 1 -1.336 0.430 0.193 0.00 0.00 +0.041 A ATOM 9 N LIG 1 0.711 2.903 1.829 0.00 0.00 -0.232 NA ENDROOT BRANCH 7 10 ATOM 10 C LIG 1 -3.514 -0.647 0.677 0.00 0.00 +0.245 C ATOM 11 N LIG 1 -4.785 -0.343 1.119 0.00 0.00 -0.305 N ATOM 12 H LIG 1 -4.962 0.603 1.429 0.00 0.00 +0.150 HD ATOM 13 O LIG 1 -3.243 -1.625 -0.010 0.00 0.00 -0.270 OA BRANCH 11 14 ATOM 14 C LIG 1 -5.945 -1.097 0.665 0.00 0.00 +0.103 C BRANCH 14 15 ATOM 15 C LIG 1 -6.581 -0.362 -0.507 0.00 0.00 -0.027 A ATOM 16 C LIG 1 -7.512 0.675 -0.337 0.00 0.00 +0.005 A ATOM 17 C LIG 1 -8.049 1.340 -1.442 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -7.656 0.988 -2.731 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -6.720 -0.026 -2.917 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -6.183 -0.692 -1.814 0.00 0.00 +0.005 A ENDBRANCH 14 15 BRANCH 14 21 ATOM 21 C LIG 1 -6.915 -1.348 1.836 0.00 0.00 +0.024 C ATOM 22 C LIG 1 -6.337 -2.309 2.868 0.00 0.00 +0.006 C ENDBRANCH 14 21 ENDBRANCH 11 14 ENDBRANCH 7 10 BRANCH 1 23 ATOM 23 C LIG 1 2.763 3.329 0.487 0.00 0.00 +0.074 C BRANCH 23 25 ATOM 24 C LIG 1 3.885 5.307 -0.595 0.00 0.00 +0.004 C ATOM 25 C LIG 1 2.561 4.620 -0.305 0.00 0.00 +0.004 C ENDBRANCH 23 25 ENDBRANCH 1 23 BRANCH 2 26 ATOM 26 C LIG 1 1.380 1.194 -1.300 0.00 0.00 +0.158 C BRANCH 26 27 ATOM 27 C LIG 1 2.460 0.151 -1.134 0.00 0.00 -0.028 A ATOM 28 C LIG 1 3.691 0.308 -1.787 0.00 0.00 +0.006 A ATOM 29 C LIG 1 4.696 -0.655 -1.656 0.00 0.00 +0.009 A ATOM 30 C LIG 1 4.496 -1.804 -0.878 0.00 0.00 -0.017 A ATOM 31 C LIG 1 3.257 -1.969 -0.245 0.00 0.00 +0.009 A ATOM 32 C LIG 1 2.250 -1.007 -0.373 0.00 0.00 +0.006 A BRANCH 30 33 ATOM 33 C LIG 1 5.554 -2.817 -0.743 0.00 0.00 -0.004 A ATOM 34 C LIG 1 6.763 -2.584 -0.057 0.00 0.00 +0.067 A ATOM 35 C LIG 1 7.777 -3.554 -0.028 0.00 0.00 +0.015 A ATOM 36 C LIG 1 7.586 -4.784 -0.654 0.00 0.00 +0.001 A ATOM 37 C LIG 1 6.388 -5.044 -1.315 0.00 0.00 +0.001 A ATOM 38 C LIG 1 5.386 -4.071 -1.362 0.00 0.00 +0.009 A BRANCH 34 39 ATOM 39 C LIG 1 7.041 -1.320 0.652 0.00 0.00 +0.337 C ATOM 40 O LIG 1 8.039 -0.637 0.523 0.00 0.00 -0.245 OA BRANCH 39 41 ATOM 41 O LIG 1 6.088 -1.041 1.556 0.00 0.00 -0.477 OA ATOM 42 H LIG 1 6.377 -0.205 1.976 0.00 0.00 +0.295 HD ENDBRANCH 39 41 ENDBRANCH 34 39 ENDBRANCH 30 33 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 11