REMARK Name = BDB060781 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.368 -1.000 0.862 0.00 0.00 +0.032 A ATOM 2 C LIG 1 0.811 -0.791 2.124 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -0.513 -1.157 2.411 0.00 0.00 +0.006 A ATOM 4 C LIG 1 -1.330 -1.725 1.430 0.00 0.00 -0.039 A ATOM 5 C LIG 1 -0.771 -1.958 0.167 0.00 0.00 +0.006 A ATOM 6 C LIG 1 0.551 -1.592 -0.112 0.00 0.00 +0.023 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 2.676 -0.636 0.508 0.00 0.00 -0.298 N ATOM 8 H LIG 1 2.965 -0.949 -0.411 0.00 0.00 +0.154 HD BRANCH 7 16 ATOM 9 C LIG 1 7.086 0.366 -0.666 0.00 0.00 +0.025 A ATOM 10 S LIG 1 5.542 -0.302 -0.933 0.00 0.00 -0.083 S ATOM 11 C LIG 1 4.965 0.210 0.608 0.00 0.00 +0.078 A ATOM 12 C LIG 1 5.960 0.886 1.305 0.00 0.00 +0.084 A ATOM 13 N LIG 1 5.769 1.396 2.544 0.00 0.00 -0.235 NA ATOM 14 C LIG 1 4.543 1.191 3.029 0.00 0.00 +0.224 A ATOM 15 N LIG 1 3.525 0.555 2.431 0.00 0.00 -0.219 NA ATOM 16 C LIG 1 3.700 0.035 1.194 0.00 0.00 +0.141 A ATOM 17 C LIG 1 7.177 0.971 0.566 0.00 0.00 +0.044 A BRANCH 9 22 ATOM 18 C LIG 1 11.547 0.844 -3.018 0.00 0.00 +0.172 C ATOM 19 N LIG 1 10.181 0.513 -2.696 0.00 0.00 -0.274 N ATOM 20 N LIG 1 9.436 -0.164 -3.590 0.00 0.00 -0.179 NA ATOM 21 C LIG 1 8.255 -0.296 -2.978 0.00 0.00 +0.143 A ATOM 22 C LIG 1 8.247 0.295 -1.699 0.00 0.00 +0.026 A ATOM 23 C LIG 1 9.511 0.813 -1.544 0.00 0.00 +0.117 A ENDBRANCH 9 22 ENDBRANCH 7 16 ENDBRANCH 1 7 BRANCH 4 24 ATOM 24 C LIG 1 -2.759 -2.151 1.684 0.00 0.00 +0.131 C BRANCH 24 25 ATOM 25 C LIG 1 -3.486 -1.462 2.828 0.00 0.00 +0.223 C ATOM 26 N LIG 1 -4.543 -0.618 2.611 0.00 0.00 -0.270 N ATOM 27 H LIG 1 -5.138 -0.548 3.430 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 -3.201 -1.719 4.004 0.00 0.00 -0.275 OA BRANCH 26 29 ATOM 29 C LIG 1 -5.062 -0.197 1.406 0.00 0.00 +0.123 A ATOM 30 N LIG 1 -4.385 0.351 0.342 0.00 0.00 -0.253 N ATOM 31 C LIG 1 -3.050 0.902 0.308 0.00 0.00 +0.174 C ATOM 32 N LIG 1 -5.181 0.589 -0.721 0.00 0.00 -0.174 NA ATOM 33 C LIG 1 -6.421 0.352 -0.276 0.00 0.00 +0.070 A ATOM 34 C LIG 1 -6.394 -0.094 1.070 0.00 0.00 +0.069 A BRANCH 33 35 ATOM 35 C LIG 1 -7.640 0.563 -1.160 0.00 0.00 +0.006 C ATOM 36 C LIG 1 -7.259 1.060 -2.571 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.574 1.612 -0.524 0.00 0.00 +0.017 C ATOM 38 C LIG 1 -8.410 -0.764 -1.316 0.00 0.00 +0.017 C ENDBRANCH 33 35 ENDBRANCH 26 29 ENDBRANCH 24 25 ENDBRANCH 4 24 TORSDOF 7