REMARK Name = BDB004293 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.692 0.913 -0.087 0.00 0.00 +0.003 C ATOM 2 C LIG 1 -0.532 1.846 -0.166 0.00 0.00 +0.005 C ATOM 3 C LIG 1 -1.538 1.567 0.948 0.00 0.00 +0.010 C ATOM 4 C LIG 1 -1.969 0.094 0.916 0.00 0.00 +0.002 C ATOM 5 C LIG 1 -2.999 -0.288 -0.181 0.00 0.00 +0.113 C ATOM 6 N LIG 1 -4.017 -0.009 0.789 0.00 0.00 -0.329 N ATOM 7 C LIG 1 -3.130 -0.221 1.896 0.00 0.00 +0.113 C ATOM 8 C LIG 1 -0.763 -0.836 1.047 0.00 0.00 +0.010 C ATOM 9 C LIG 1 0.241 -0.560 -0.073 0.00 0.00 +0.005 C ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 -5.393 -0.292 0.716 0.00 0.00 +0.030 A ATOM 11 C LIG 1 -6.184 -0.319 1.869 0.00 0.00 +0.023 A ATOM 12 C LIG 1 -7.562 -0.559 1.800 0.00 0.00 +0.006 A ATOM 13 C LIG 1 -8.195 -0.777 0.568 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -7.400 -0.755 -0.589 0.00 0.00 +0.006 A ATOM 15 C LIG 1 -6.023 -0.509 -0.513 0.00 0.00 +0.023 A BRANCH 13 16 ATOM 16 C LIG 1 -9.702 -1.008 0.440 0.00 0.00 +0.063 C ATOM 17 C LIG 1 -10.554 0.279 0.288 0.00 0.00 +0.068 C ATOM 18 C LIG 1 -10.721 0.932 1.664 0.00 0.00 +0.238 C ATOM 19 O LIG 1 -11.424 0.087 2.585 0.00 0.00 -0.491 OA ATOM 20 C LIG 1 -11.083 -1.238 2.565 0.00 0.00 +0.128 A ATOM 21 C LIG 1 -11.621 -2.010 3.595 0.00 0.00 +0.091 A ATOM 22 C LIG 1 -11.341 -3.372 3.656 0.00 0.00 +0.120 A ATOM 23 C LIG 1 -10.534 -3.975 2.700 0.00 0.00 +0.046 A ATOM 24 C LIG 1 -10.003 -3.207 1.664 0.00 0.00 +0.011 A ATOM 25 C LIG 1 -10.278 -1.831 1.581 0.00 0.00 +0.003 A BRANCH 17 26 ATOM 26 C LIG 1 -10.113 1.215 -0.823 0.00 0.00 -0.040 A ATOM 27 C LIG 1 -10.632 1.030 -2.116 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -10.245 1.858 -3.171 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -9.328 2.883 -2.951 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -8.798 3.074 -1.678 0.00 0.00 +0.000 A ATOM 31 C LIG 1 -9.187 2.248 -0.620 0.00 0.00 +0.004 A ENDBRANCH 17 26 BRANCH 22 32 ATOM 32 O LIG 1 -11.845 -4.156 4.650 0.00 0.00 -0.507 OA ATOM 33 H LIG 1 -12.338 -3.587 5.265 0.00 0.00 +0.292 HD ENDBRANCH 22 32 ENDBRANCH 13 16 ENDBRANCH 6 10 BRANCH 1 34 ATOM 34 C LIG 1 1.637 1.219 -1.271 0.00 0.00 +0.088 C BRANCH 34 45 ATOM 35 N LIG 1 10.970 -1.245 -0.118 0.00 0.00 -0.282 N ATOM 36 C LIG 1 11.093 -0.361 -1.181 0.00 0.00 +0.248 C ATOM 37 O LIG 1 12.101 -0.022 -1.770 0.00 0.00 -0.270 OA ATOM 38 C LIG 1 9.748 0.138 -1.481 0.00 0.00 +0.045 A ATOM 39 C LIG 1 8.867 -0.383 -0.520 0.00 0.00 -0.017 A ATOM 40 C LIG 1 7.515 -0.073 -0.549 0.00 0.00 +0.013 A ATOM 41 C LIG 1 7.095 0.772 -1.573 0.00 0.00 +0.004 A ATOM 42 C LIG 1 5.714 1.246 -1.922 0.00 0.00 +0.036 C ATOM 43 C LIG 1 4.897 1.817 -0.749 0.00 0.00 +0.030 C ATOM 44 C LIG 1 3.843 0.827 -0.253 0.00 0.00 +0.085 C ATOM 45 N LIG 1 2.880 0.427 -1.288 0.00 0.00 -0.302 NA ATOM 46 C LIG 1 3.449 0.413 -2.647 0.00 0.00 +0.085 C ATOM 47 C LIG 1 4.949 0.127 -2.659 0.00 0.00 +0.030 C ATOM 48 C LIG 1 6.130 2.387 -2.885 0.00 0.00 +0.240 C ATOM 49 O LIG 1 7.414 2.072 -3.468 0.00 0.00 -0.491 OA ATOM 50 C LIG 1 8.001 1.276 -2.519 0.00 0.00 +0.125 A ATOM 51 C LIG 1 9.347 0.973 -2.504 0.00 0.00 +0.059 A ATOM 52 C LIG 1 9.623 -1.242 0.440 0.00 0.00 +0.144 C BRANCH 35 59 ATOM 53 O LIG 1 15.950 -2.098 2.093 0.00 0.00 -0.275 OA ATOM 54 C LIG 1 14.838 -1.978 1.587 0.00 0.00 +0.219 C ATOM 55 N LIG 1 14.012 -0.938 1.938 0.00 0.00 -0.255 N ATOM 56 H LIG 1 14.391 -0.277 2.604 0.00 0.00 +0.158 HD ATOM 57 C LIG 1 12.693 -0.753 1.592 0.00 0.00 +0.240 C ATOM 58 O LIG 1 12.033 0.138 2.125 0.00 0.00 -0.273 OA ATOM 59 C LIG 1 12.097 -1.795 0.631 0.00 0.00 +0.163 C ATOM 60 C LIG 1 13.193 -2.395 -0.251 0.00 0.00 +0.041 C ATOM 61 C LIG 1 14.273 -3.001 0.631 0.00 0.00 +0.098 C ENDBRANCH 35 59 ENDBRANCH 34 45 ENDBRANCH 1 34 TORSDOF 7