REMARK Name = BDB017442 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.555 -0.798 -0.132 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -4.398 -0.066 -1.323 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.111 0.093 -1.852 0.00 0.00 +0.067 A ATOM 4 C LIG 1 -1.970 -0.440 -1.264 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.895 -0.036 -2.117 0.00 0.00 +0.093 A ATOM 6 N LIG 1 -1.346 0.652 -3.177 0.00 0.00 -0.173 NA ATOM 7 C LIG 1 -2.127 -1.198 -0.089 0.00 0.00 +0.012 A ATOM 8 N LIG 1 -2.668 0.743 -2.970 0.00 0.00 -0.276 N ATOM 9 H LIG 1 -3.224 1.257 -3.642 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 -3.412 -1.364 0.455 0.00 0.00 +0.005 A ENDROOT BRANCH 1 14 ATOM 11 O LIG 1 -5.261 2.016 1.183 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 -6.372 1.581 0.931 0.00 0.00 +0.228 C ATOM 13 C LIG 1 -6.789 0.127 0.951 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.929 -1.019 0.458 0.00 0.00 +0.040 C ATOM 15 C LIG 1 -6.179 -0.824 1.940 0.00 0.00 +0.031 C ATOM 16 C LIG 1 -8.263 0.168 0.659 0.00 0.00 -0.011 A ATOM 17 C LIG 1 -8.623 1.509 0.455 0.00 0.00 +0.038 A ATOM 18 C LIG 1 -9.909 1.914 0.163 0.00 0.00 +0.023 A ATOM 19 C LIG 1 -10.883 0.920 0.070 0.00 0.00 +0.002 A ATOM 20 C LIG 1 -10.551 -0.432 0.270 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -9.237 -0.814 0.568 0.00 0.00 +0.006 A ATOM 22 N LIG 1 -7.498 2.320 0.607 0.00 0.00 -0.284 N ATOM 23 H LIG 1 -7.487 3.326 0.551 0.00 0.00 +0.155 HD ENDBRANCH 1 14 BRANCH 5 24 ATOM 24 C LIG 1 0.502 -0.314 -1.963 0.00 0.00 +0.031 C ATOM 25 C LIG 1 1.169 -0.443 -0.804 0.00 0.00 +0.011 C BRANCH 25 26 ATOM 26 C LIG 1 2.610 -0.709 -0.710 0.00 0.00 -0.007 A ATOM 27 C LIG 1 3.106 -1.507 0.317 0.00 0.00 +0.119 A ATOM 28 N LIG 1 4.417 -1.790 0.509 0.00 0.00 -0.258 NA ATOM 29 C LIG 1 5.309 -1.238 -0.352 0.00 0.00 +0.055 A ATOM 30 C LIG 1 4.906 -0.415 -1.403 0.00 0.00 +0.025 A ATOM 31 C LIG 1 3.548 -0.147 -1.577 0.00 0.00 +0.011 A BRANCH 29 32 ATOM 32 C LIG 1 6.784 -1.540 -0.135 0.00 0.00 +0.139 C BRANCH 32 33 ATOM 33 N LIG 1 7.455 -0.691 0.870 0.00 0.00 -0.297 NA ATOM 34 C LIG 1 8.782 -1.212 1.226 0.00 0.00 +0.085 C ATOM 35 C LIG 1 9.935 -0.439 0.591 0.00 0.00 +0.015 C ATOM 36 C LIG 1 9.910 1.033 0.997 0.00 0.00 +0.002 C ATOM 37 C LIG 1 8.494 1.531 1.284 0.00 0.00 +0.015 C ATOM 38 C LIG 1 7.454 0.731 0.501 0.00 0.00 +0.085 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 25 26 ENDBRANCH 5 24 TORSDOF 5