REMARK Name = BDB020656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.628 -1.199 -0.585 0.00 0.00 +0.043 A ATOM 2 C LIG 1 -0.393 -1.287 0.210 0.00 0.00 -0.017 A ATOM 3 C LIG 1 -0.108 -2.627 0.848 0.00 0.00 +0.046 C ATOM 4 C LIG 1 0.441 -0.203 0.269 0.00 0.00 +0.044 A ATOM 5 N LIG 1 0.101 0.935 -0.519 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.047 0.996 -1.315 0.00 0.00 +0.048 A ATOM 7 C LIG 1 -1.092 2.208 -1.968 0.00 0.00 +0.037 A ATOM 8 C LIG 1 0.058 2.930 -1.589 0.00 0.00 +0.021 A ATOM 9 C LIG 1 0.765 2.135 -0.712 0.00 0.00 +0.101 A ATOM 10 C LIG 1 -1.925 -0.115 -1.322 0.00 0.00 +0.039 A ENDROOT BRANCH 8 11 ATOM 11 C LIG 1 0.395 4.266 -2.082 0.00 0.00 +0.094 A ATOM 12 N LIG 1 -0.337 4.915 -2.994 0.00 0.00 -0.171 NA ATOM 13 N LIG 1 0.320 6.074 -3.170 0.00 0.00 -0.274 N ATOM 14 C LIG 1 -0.187 7.039 -4.116 0.00 0.00 +0.172 C ATOM 15 C LIG 1 1.436 6.191 -2.396 0.00 0.00 +0.108 A ATOM 16 C LIG 1 1.515 5.024 -1.672 0.00 0.00 +0.049 A ENDBRANCH 8 11 BRANCH 1 19 ATOM 17 N LIG 1 -3.210 -2.541 0.611 0.00 0.00 -0.307 N ATOM 18 H LIG 1 -2.899 -2.020 1.422 0.00 0.00 +0.149 HD ATOM 19 C LIG 1 -2.672 -2.268 -0.620 0.00 0.00 +0.245 C ATOM 20 O LIG 1 -3.030 -2.793 -1.667 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 -4.278 -3.494 0.807 0.00 0.00 +0.145 C BRANCH 21 28 ATOM 22 C LIG 1 -8.899 -0.757 3.039 0.00 0.00 +0.063 C ATOM 23 C LIG 1 -7.750 -1.445 2.372 0.00 0.00 +0.016 A ATOM 24 N LIG 1 -6.683 -1.792 3.161 0.00 0.00 -0.326 N ATOM 25 H LIG 1 -6.689 -1.572 4.150 0.00 0.00 +0.169 HD ATOM 26 C LIG 1 -5.550 -2.417 2.706 0.00 0.00 +0.254 A ATOM 27 O LIG 1 -4.614 -2.672 3.460 0.00 0.00 -0.268 OA ATOM 28 C LIG 1 -5.510 -2.757 1.246 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -6.567 -2.417 0.475 0.00 0.00 -0.039 A ATOM 30 C LIG 1 -6.679 -2.671 -1.004 0.00 0.00 +0.044 C ATOM 31 C LIG 1 -7.713 -1.738 1.063 0.00 0.00 +0.024 A ENDBRANCH 21 28 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 4 32 ATOM 32 C LIG 1 1.686 -0.214 1.175 0.00 0.00 +0.101 C ATOM 33 C LIG 1 1.954 1.047 2.019 0.00 0.00 +0.031 C BRANCH 32 34 ATOM 34 N LIG 1 2.875 -0.792 0.525 0.00 0.00 -0.294 NA ATOM 35 C LIG 1 3.899 -1.300 1.444 0.00 0.00 +0.086 C ATOM 36 C LIG 1 5.182 -0.471 1.445 0.00 0.00 +0.034 C ATOM 37 C LIG 1 5.837 -0.378 0.044 0.00 0.00 +0.058 C ATOM 38 C LIG 1 4.769 -0.636 -1.046 0.00 0.00 +0.034 C ATOM 39 C LIG 1 3.410 -0.071 -0.627 0.00 0.00 +0.086 C BRANCH 37 40 ATOM 40 N LIG 1 7.035 -1.253 -0.080 0.00 0.00 -0.305 NA ATOM 41 C LIG 1 8.151 -0.763 0.746 0.00 0.00 +0.104 C ATOM 42 C LIG 1 7.514 -1.377 -1.462 0.00 0.00 +0.104 C ENDBRANCH 37 40 ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7