REMARK Name = BDB006240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.030 -0.155 0.337 0.00 0.00 -0.229 N ATOM 2 C LIG 1 1.192 0.222 -0.738 0.00 0.00 +0.054 A ATOM 3 C LIG 1 -0.046 -0.295 -0.412 0.00 0.00 +0.031 A ATOM 4 C LIG 1 -1.455 -0.448 -0.875 0.00 0.00 +0.146 C ATOM 5 N LIG 1 -2.003 -1.377 0.157 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.039 -1.791 1.103 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.138 -2.599 2.012 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.158 -1.073 0.721 0.00 0.00 +0.154 A ATOM 9 N LIG 1 1.400 -1.031 1.175 0.00 0.00 -0.161 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.341 -1.851 0.109 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.153 -1.984 1.257 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.743 -1.553 2.641 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.455 -2.510 1.125 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -5.973 -2.854 -0.121 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.188 -2.681 -1.251 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -5.813 -3.094 -2.800 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -3.888 -2.186 -1.141 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.108 0.929 -0.829 0.00 0.00 -0.019 A ATOM 19 C LIG 1 -2.730 1.499 -1.968 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -2.781 0.805 -3.303 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -3.352 2.760 -1.863 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -3.362 3.455 -0.657 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -4.123 4.994 -0.561 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.763 2.909 0.469 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.150 1.658 0.384 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 29 ATOM 26 C LIG 1 5.738 1.289 1.384 0.00 0.00 +0.321 A ATOM 27 N LIG 1 5.482 0.006 1.672 0.00 0.00 -0.158 NA ATOM 28 C LIG 1 4.264 -0.461 1.318 0.00 0.00 +0.247 A ATOM 29 C LIG 1 3.320 0.312 0.669 0.00 0.00 +0.145 A ATOM 30 C LIG 1 3.690 1.618 0.437 0.00 0.00 +0.149 A ATOM 31 N LIG 1 4.892 2.127 0.772 0.00 0.00 -0.201 NA BRANCH 26 33 ATOM 32 C LIG 1 7.819 0.931 2.379 0.00 0.00 +0.280 C ATOM 33 O LIG 1 6.956 1.841 1.711 0.00 0.00 -0.466 OA ENDBRANCH 26 33 BRANCH 28 34 ATOM 34 O LIG 1 4.029 -1.808 1.489 0.00 0.00 -0.478 OA ATOM 35 C LIG 1 4.884 -2.422 2.446 0.00 0.00 +0.279 C ENDBRANCH 28 34 ENDBRANCH 1 29 BRANCH 2 36 ATOM 36 C LIG 1 1.676 0.914 -1.988 0.00 0.00 +0.032 C ATOM 37 C LIG 1 1.461 0.029 -3.219 0.00 0.00 +0.014 C ATOM 38 C LIG 1 1.024 2.281 -2.181 0.00 0.00 +0.014 C ENDBRANCH 2 36 TORSDOF 6