REMARK Name = BDB017595 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.307 -1.303 -0.636 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.720 -0.233 -1.439 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -2.968 0.362 -1.228 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.830 -0.078 -0.212 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -5.130 0.612 -0.032 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.959 0.250 1.028 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -5.449 -0.100 1.834 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -7.105 1.075 1.394 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.798 1.568 0.130 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -6.809 2.300 -0.782 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.486 1.588 -0.892 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -4.576 2.031 -1.981 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -4.883 2.929 -2.760 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -3.418 -1.166 0.570 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -3.365 1.407 -2.069 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -2.764 1.723 -2.817 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -2.172 -1.769 0.363 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.038 -1.964 -0.856 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 3.735 -0.962 0.799 0.00 0.00 -0.327 N ATOM 20 C LIG 1 2.567 -0.387 1.506 0.00 0.00 +0.120 C ATOM 21 C LIG 1 1.267 -0.515 0.681 0.00 0.00 +0.103 C ATOM 22 N LIG 1 0.911 -1.911 0.326 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 2.126 -2.740 0.141 0.00 0.00 +0.103 C ATOM 24 C LIG 1 3.397 -1.952 -0.247 0.00 0.00 +0.120 C BRANCH 19 27 ATOM 25 C LIG 1 6.479 -1.581 1.437 0.00 0.00 +0.046 C ATOM 26 C LIG 1 6.086 -0.348 0.667 0.00 0.00 -0.028 A ATOM 27 C LIG 1 4.732 -0.066 0.384 0.00 0.00 +0.033 A ATOM 28 C LIG 1 4.428 1.101 -0.337 0.00 0.00 +0.024 A ATOM 29 C LIG 1 5.433 1.968 -0.773 0.00 0.00 +0.021 A ATOM 30 C LIG 1 6.769 1.680 -0.499 0.00 0.00 +0.052 A ATOM 31 C LIG 1 7.093 0.524 0.215 0.00 0.00 +0.024 A BRANCH 30 32 ATOM 32 C LIG 1 7.805 2.563 -0.950 0.00 0.00 +0.099 C ATOM 33 N LIG 1 8.641 3.279 -1.318 0.00 0.00 -0.191 NA ENDBRANCH 30 32 ENDBRANCH 19 27 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4