REMARK Name = BDB063636 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.049 0.509 -0.924 0.00 0.00 +0.018 A ATOM 2 C LIG 1 -0.928 -0.274 -1.212 0.00 0.00 +0.121 A ATOM 3 N LIG 1 0.364 0.114 -1.056 0.00 0.00 -0.250 NA ATOM 4 C LIG 1 0.557 1.372 -0.569 0.00 0.00 +0.125 A ATOM 5 C LIG 1 -0.474 2.233 -0.231 0.00 0.00 +0.033 A ATOM 6 C LIG 1 -1.784 1.790 -0.411 0.00 0.00 +0.014 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -7.456 -1.135 -1.540 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -6.101 -0.741 -1.386 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -5.138 -1.229 -2.291 0.00 0.00 -0.014 A ATOM 10 C LIG 1 -3.798 -0.833 -2.152 0.00 0.00 +0.037 A ATOM 11 C LIG 1 -3.429 0.036 -1.126 0.00 0.00 +0.073 A ATOM 12 N LIG 1 -4.338 0.516 -0.247 0.00 0.00 -0.254 NA ATOM 13 C LIG 1 -5.535 -2.103 -3.319 0.00 0.00 +0.008 A ATOM 14 C LIG 1 -6.867 -2.494 -3.454 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -5.626 0.117 -0.386 0.00 0.00 +0.120 A ATOM 16 C LIG 1 -7.826 -2.011 -2.568 0.00 0.00 +0.011 A BRANCH 7 22 ATOM 17 C LIG 1 -11.674 4.440 -2.584 0.00 0.00 +0.109 C ATOM 18 C LIG 1 -10.650 3.352 -2.780 0.00 0.00 +0.213 C ATOM 19 N LIG 1 -10.357 2.543 -1.688 0.00 0.00 -0.297 N ATOM 20 C LIG 1 -9.257 1.578 -1.888 0.00 0.00 +0.146 C ATOM 21 C LIG 1 -9.265 0.550 -0.814 0.00 0.00 +0.018 A ATOM 22 C LIG 1 -8.496 -0.628 -0.657 0.00 0.00 +0.098 A ATOM 23 N LIG 1 -8.820 -1.270 0.474 0.00 0.00 -0.170 NA ATOM 24 N LIG 1 -9.793 -0.520 1.033 0.00 0.00 -0.264 N ATOM 25 C LIG 1 -10.071 0.596 0.303 0.00 0.00 +0.046 A ATOM 26 C LIG 1 -11.059 1.667 0.576 0.00 0.00 +0.074 C ATOM 27 C LIG 1 -10.713 2.895 -0.295 0.00 0.00 +0.114 C ATOM 28 O LIG 1 -10.114 3.200 -3.879 0.00 0.00 -0.276 OA BRANCH 24 29 ATOM 29 C LIG 1 -10.412 -0.964 2.279 0.00 0.00 +0.112 C ATOM 30 C LIG 1 -9.373 -1.264 3.371 0.00 0.00 +0.055 C ATOM 31 C LIG 1 -9.174 -2.764 3.510 0.00 0.00 +0.162 C ATOM 32 O LIG 1 -10.379 -3.420 3.909 0.00 0.00 -0.380 OA ATOM 33 C LIG 1 -11.578 -2.916 3.321 0.00 0.00 +0.162 C ATOM 34 C LIG 1 -11.346 -2.156 2.027 0.00 0.00 +0.055 C ENDBRANCH 24 29 ENDBRANCH 7 22 ENDBRANCH 1 11 BRANCH 4 35 ATOM 35 C LIG 1 1.980 1.812 -0.404 0.00 0.00 +0.263 C ATOM 36 N LIG 1 2.916 0.873 -0.791 0.00 0.00 -0.307 N ATOM 37 H LIG 1 2.541 -0.040 -1.032 0.00 0.00 +0.149 HD ATOM 38 O LIG 1 2.262 2.916 0.048 0.00 0.00 -0.269 OA BRANCH 36 39 ATOM 39 C LIG 1 4.345 1.075 -0.608 0.00 0.00 +0.076 C ATOM 40 C LIG 1 5.157 0.208 -1.577 0.00 0.00 +0.041 C ATOM 41 C LIG 1 6.406 -0.406 -0.941 0.00 0.00 +0.107 C ATOM 42 N LIG 1 7.063 0.564 -0.066 0.00 0.00 -0.330 N ATOM 43 C LIG 1 6.244 1.161 1.007 0.00 0.00 +0.107 C ATOM 44 C LIG 1 4.761 0.840 0.841 0.00 0.00 +0.041 C BRANCH 42 45 ATOM 45 C LIG 1 8.434 0.466 0.200 0.00 0.00 +0.030 A ATOM 46 C LIG 1 9.181 -0.694 -0.089 0.00 0.00 +0.029 A ATOM 47 C LIG 1 10.541 -0.726 0.184 0.00 0.00 -0.016 A ATOM 48 C LIG 1 11.527 -1.826 -0.015 0.00 0.00 +0.144 C ATOM 49 N LIG 1 12.771 -1.227 0.442 0.00 0.00 -0.282 N ATOM 50 C LIG 1 12.594 0.062 0.909 0.00 0.00 +0.248 C ATOM 51 O LIG 1 13.423 0.807 1.392 0.00 0.00 -0.270 OA ATOM 52 C LIG 1 11.174 0.382 0.735 0.00 0.00 +0.042 A ATOM 53 C LIG 1 10.499 1.543 1.035 0.00 0.00 +0.015 A ATOM 54 C LIG 1 9.128 1.573 0.760 0.00 0.00 +0.024 A BRANCH 49 55 ATOM 55 C LIG 1 14.026 -1.968 0.442 0.00 0.00 +0.163 C ATOM 56 C LIG 1 14.555 -2.123 1.869 0.00 0.00 +0.240 C ATOM 57 O LIG 1 13.959 -2.776 2.726 0.00 0.00 -0.273 OA ATOM 58 N LIG 1 15.706 -1.443 2.181 0.00 0.00 -0.255 N ATOM 59 H LIG 1 16.018 -1.522 3.139 0.00 0.00 +0.158 HD ATOM 60 C LIG 1 16.405 -0.550 1.410 0.00 0.00 +0.219 C ATOM 61 O LIG 1 17.387 0.033 1.865 0.00 0.00 -0.275 OA ATOM 62 C LIG 1 15.910 -0.304 0.007 0.00 0.00 +0.098 C ATOM 63 C LIG 1 15.082 -1.457 -0.534 0.00 0.00 +0.041 C ENDBRANCH 49 55 ENDBRANCH 42 45 ENDBRANCH 36 39 ENDBRANCH 4 35 TORSDOF 7