REMARK Name = BDB024181 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.514 -1.175 -1.120 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.859 -2.549 -1.160 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -0.075 -2.997 -0.086 0.00 0.00 +0.005 A ATOM 4 C LIG 1 0.524 -4.258 -0.117 0.00 0.00 +0.000 A ATOM 5 C LIG 1 0.339 -5.092 -1.218 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.451 -4.669 -2.285 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.049 -3.409 -2.255 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 10 ATOM 8 N LIG 1 0.080 0.254 -2.534 0.00 0.00 -0.268 N ATOM 9 H LIG 1 0.199 0.662 -3.454 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -1.139 -0.337 -2.384 0.00 0.00 +0.240 C ATOM 11 O LIG 1 -1.939 -0.172 -3.318 0.00 0.00 -0.273 OA BRANCH 8 16 ATOM 12 C LIG 1 3.297 0.785 0.076 0.00 0.00 +0.005 A ATOM 13 C LIG 1 3.412 1.166 -1.260 0.00 0.00 +0.033 A ATOM 14 C LIG 1 2.334 0.982 -2.128 0.00 0.00 +0.082 A ATOM 15 CL LIG 1 2.510 1.473 -3.776 0.00 0.00 -0.080 Cl ATOM 16 C LIG 1 1.149 0.407 -1.647 0.00 0.00 +0.143 A ATOM 17 N LIG 1 1.014 0.048 -0.356 0.00 0.00 -0.238 NA ATOM 18 C LIG 1 2.080 0.235 0.467 0.00 0.00 +0.121 A BRANCH 12 23 ATOM 19 C LIG 1 7.401 2.415 2.353 0.00 0.00 +0.172 C ATOM 20 N LIG 1 6.203 1.685 2.016 0.00 0.00 -0.274 N ATOM 21 N LIG 1 5.766 0.715 2.837 0.00 0.00 -0.179 NA ATOM 22 C LIG 1 4.665 0.264 2.233 0.00 0.00 +0.143 A ATOM 23 C LIG 1 4.385 0.944 1.023 0.00 0.00 +0.021 A ATOM 24 C LIG 1 5.410 1.863 0.918 0.00 0.00 +0.116 A ENDBRANCH 12 23 ENDBRANCH 8 16 ENDBRANCH 1 10 BRANCH 1 25 ATOM 25 N LIG 1 -2.994 -1.309 -1.066 0.00 0.00 -0.302 NA ATOM 26 H LIG 1 -3.405 -0.437 -1.406 0.00 0.00 +0.123 HD BRANCH 25 27 ATOM 27 C LIG 1 -3.527 -1.634 0.258 0.00 0.00 +0.086 C BRANCH 27 28 ATOM 28 C LIG 1 -3.355 -0.563 1.351 0.00 0.00 +0.050 C BRANCH 28 29 ATOM 29 C LIG 1 -3.858 0.808 0.961 0.00 0.00 -0.046 A ATOM 30 C LIG 1 -5.231 1.048 0.816 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -5.694 2.312 0.441 0.00 0.00 +0.019 A ATOM 32 C LIG 1 -4.788 3.350 0.207 0.00 0.00 +0.052 A ATOM 33 C LIG 1 -3.417 3.119 0.351 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -2.955 1.855 0.727 0.00 0.00 +0.005 A BRANCH 32 35 ATOM 35 C LIG 1 -5.262 4.648 -0.176 0.00 0.00 +0.099 C ATOM 36 N LIG 1 -5.643 5.701 -0.481 0.00 0.00 -0.191 NA ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 9