REMARK Name = BDB011570 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.115 -1.521 -0.061 0.00 0.00 +0.245 C ATOM 2 N LIG 1 0.974 -2.303 -0.178 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -0.414 -1.823 -0.406 0.00 0.00 +0.172 C ATOM 4 C LIG 1 -1.265 -3.053 -0.780 0.00 0.00 +0.069 C ATOM 5 C LIG 1 -0.325 -4.180 -0.499 0.00 0.00 -0.024 A ATOM 6 C LIG 1 -0.604 -5.537 -0.572 0.00 0.00 +0.005 A ATOM 7 C LIG 1 0.427 -6.440 -0.314 0.00 0.00 +0.000 A ATOM 8 C LIG 1 1.712 -5.978 0.003 0.00 0.00 +0.002 A ATOM 9 C LIG 1 1.981 -4.606 0.068 0.00 0.00 +0.024 A ATOM 10 C LIG 1 0.953 -3.713 -0.184 0.00 0.00 +0.040 A ATOM 11 O LIG 1 3.261 -1.988 0.018 0.00 0.00 -0.273 OA ENDROOT BRANCH 3 12 ATOM 12 C LIG 1 -1.024 -1.150 0.841 0.00 0.00 +0.238 C ATOM 13 N LIG 1 -2.158 -0.414 0.529 0.00 0.00 -0.283 N ATOM 14 H LIG 1 -2.413 -0.357 -0.451 0.00 0.00 +0.155 HD ATOM 15 O LIG 1 -0.523 -1.275 1.954 0.00 0.00 -0.273 OA BRANCH 13 16 ATOM 16 C LIG 1 -2.981 0.342 1.402 0.00 0.00 +0.041 A ATOM 17 C LIG 1 -4.051 1.085 0.840 0.00 0.00 +0.003 A ATOM 18 C LIG 1 -4.888 1.833 1.689 0.00 0.00 +0.010 A ATOM 19 C LIG 1 -4.677 1.852 3.066 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -3.627 1.124 3.613 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -2.785 0.373 2.787 0.00 0.00 +0.024 A BRANCH 17 22 ATOM 22 C LIG 1 -4.312 1.112 -0.607 0.00 0.00 -0.016 A ATOM 23 C LIG 1 -3.592 1.976 -1.447 0.00 0.00 +0.008 A ATOM 24 C LIG 1 -3.812 1.974 -2.826 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -4.756 1.113 -3.380 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -5.484 0.255 -2.558 0.00 0.00 +0.001 A ATOM 27 C LIG 1 -5.264 0.255 -1.179 0.00 0.00 +0.008 A ENDBRANCH 17 22 ENDBRANCH 13 16 ENDBRANCH 3 12 BRANCH 1 28 ATOM 28 C LIG 1 1.945 0.028 -0.069 0.00 0.00 +0.190 C BRANCH 28 29 ATOM 29 C LIG 1 1.560 0.586 -1.430 0.00 0.00 -0.018 A ATOM 30 C LIG 1 2.084 0.064 -2.624 0.00 0.00 +0.006 A ATOM 31 C LIG 1 1.701 0.595 -3.857 0.00 0.00 +0.000 A ATOM 32 C LIG 1 0.808 1.663 -3.913 0.00 0.00 +0.000 A ATOM 33 C LIG 1 0.303 2.210 -2.736 0.00 0.00 +0.000 A ATOM 34 C LIG 1 0.679 1.678 -1.502 0.00 0.00 +0.006 A ENDBRANCH 28 29 BRANCH 28 36 ATOM 35 C LIG 1 3.279 1.788 1.078 0.00 0.00 +0.231 C ATOM 36 N LIG 1 3.211 0.614 0.358 0.00 0.00 -0.299 N ATOM 37 H LIG 1 4.031 0.032 0.234 0.00 0.00 +0.150 HD ATOM 38 O LIG 1 2.274 2.437 1.355 0.00 0.00 -0.274 OA BRANCH 35 39 ATOM 39 C LIG 1 4.722 2.155 1.508 0.00 0.00 +0.137 C ATOM 40 C LIG 1 5.186 1.257 2.654 0.00 0.00 +0.034 C BRANCH 39 42 ATOM 41 C LIG 1 4.286 4.087 2.990 0.00 0.00 +0.101 C ATOM 42 N LIG 1 4.904 3.601 1.763 0.00 0.00 -0.309 NA ATOM 43 H LIG 1 5.902 3.803 1.806 0.00 0.00 +0.122 HD ENDBRANCH 39 42 ENDBRANCH 35 39 ENDBRANCH 28 36 ENDBRANCH 1 28 TORSDOF 8