REMARK Name = BDB010487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.502 -1.165 1.143 0.00 0.00 +0.150 A ATOM 2 C LIG 1 0.308 -0.451 1.277 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -0.175 -0.140 2.542 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -1.351 0.540 2.486 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.650 0.612 1.211 0.00 0.00 +0.201 A ATOM 6 N LIG 1 0.430 -0.482 3.691 0.00 0.00 -0.190 NA ATOM 7 C LIG 1 1.544 -1.183 3.459 0.00 0.00 +0.274 A ATOM 8 N LIG 1 -0.641 0.086 0.426 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.106 -1.545 2.287 0.00 0.00 -0.195 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.811 1.103 0.679 0.00 0.00 -0.294 N ATOM 11 C LIG 1 -4.016 0.258 0.948 0.00 0.00 +0.106 C ATOM 12 C LIG 1 -5.194 0.768 0.083 0.00 0.00 +0.027 C ATOM 13 C LIG 1 -5.282 2.292 0.011 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -4.492 2.945 1.127 0.00 0.00 +0.019 C ATOM 15 C LIG 1 -3.023 2.523 1.094 0.00 0.00 +0.108 C BRANCH 11 16 ATOM 16 C LIG 1 -3.776 -1.243 0.749 0.00 0.00 -0.027 A ATOM 17 C LIG 1 -3.753 -1.858 -0.513 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -3.505 -3.227 -0.641 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -3.267 -4.005 0.489 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -3.273 -3.414 1.749 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.525 -2.047 1.878 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 S LIG 1 2.407 -1.730 4.920 0.00 0.00 +0.029 S ATOM 23 O LIG 1 1.503 -2.540 5.721 0.00 0.00 -0.167 OA ATOM 24 O LIG 1 3.106 -0.591 5.494 0.00 0.00 -0.167 OA ATOM 25 C LIG 1 3.650 -2.834 4.303 0.00 0.00 +0.204 C ENDBRANCH 7 22 BRANCH 1 26 ATOM 26 N LIG 1 2.073 -1.499 -0.076 0.00 0.00 -0.324 N ATOM 27 H LIG 1 1.828 -0.874 -0.831 0.00 0.00 +0.148 HD BRANCH 26 29 ATOM 28 C LIG 1 4.402 -0.748 0.021 0.00 0.00 +0.028 C ATOM 29 C LIG 1 3.466 -1.949 -0.117 0.00 0.00 +0.072 C BRANCH 29 30 ATOM 30 C LIG 1 3.677 -2.720 -1.429 0.00 0.00 +0.009 C ATOM 31 C LIG 1 3.647 -1.986 -2.801 0.00 0.00 +0.005 C ATOM 32 C LIG 1 4.651 -3.046 -3.302 0.00 0.00 +0.001 C ATOM 33 C LIG 1 5.093 -3.221 -1.832 0.00 0.00 +0.005 C ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 1 26 BRANCH 8 34 ATOM 34 C LIG 1 -0.666 -0.022 -1.018 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 -0.037 1.130 -1.844 0.00 0.00 +0.009 C ATOM 36 C LIG 1 1.139 1.889 -1.198 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.715 3.214 -0.572 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.077 4.171 -1.595 0.00 0.00 -0.014 C ATOM 39 C LIG 1 1.083 5.213 -2.087 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -0.544 3.430 -2.791 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -1.127 2.087 -2.370 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 8 34 TORSDOF 8