REMARK Name = BDB004264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.687 -1.439 -0.868 0.00 0.00 +0.006 C ATOM 2 C LIG 1 1.018 -0.082 -0.229 0.00 0.00 +0.024 C ATOM 3 C LIG 1 2.522 0.205 -0.249 0.00 0.00 +0.107 C ATOM 4 N LIG 1 3.239 -0.894 0.413 0.00 0.00 -0.315 N ATOM 5 C LIG 1 3.030 -2.195 -0.238 0.00 0.00 +0.107 C ATOM 6 C LIG 1 1.542 -2.540 -0.211 0.00 0.00 +0.024 C ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 4.609 -0.607 0.610 0.00 0.00 +0.121 A ATOM 8 N LIG 1 5.551 -1.381 0.035 0.00 0.00 -0.240 NA ATOM 9 C LIG 1 6.855 -1.101 0.274 0.00 0.00 +0.117 A ATOM 10 C LIG 1 7.310 -0.067 1.086 0.00 0.00 -0.021 A ATOM 11 C LIG 1 6.325 0.725 1.676 0.00 0.00 +0.009 A ATOM 12 C LIG 1 4.976 0.449 1.442 0.00 0.00 +0.044 A BRANCH 10 13 ATOM 13 C LIG 1 8.805 0.143 1.292 0.00 0.00 +0.065 C ATOM 14 C LIG 1 9.481 1.101 0.278 0.00 0.00 +0.068 C ATOM 15 C LIG 1 9.175 2.547 0.675 0.00 0.00 +0.238 C ATOM 16 O LIG 1 9.701 2.881 1.966 0.00 0.00 -0.491 OA ATOM 17 C LIG 1 9.556 1.929 2.939 0.00 0.00 +0.128 A ATOM 18 C LIG 1 9.880 2.342 4.234 0.00 0.00 +0.091 A ATOM 19 C LIG 1 9.781 1.441 5.289 0.00 0.00 +0.120 A ATOM 20 C LIG 1 9.372 0.132 5.071 0.00 0.00 +0.046 A ATOM 21 C LIG 1 9.054 -0.284 3.779 0.00 0.00 +0.011 A ATOM 22 C LIG 1 9.149 0.609 2.697 0.00 0.00 +0.003 A BRANCH 14 23 ATOM 23 C LIG 1 9.226 0.756 -1.180 0.00 0.00 -0.040 A ATOM 24 C LIG 1 10.059 -0.182 -1.813 0.00 0.00 +0.004 A ATOM 25 C LIG 1 9.846 -0.546 -3.144 0.00 0.00 +0.000 A ATOM 26 C LIG 1 8.795 0.020 -3.860 0.00 0.00 +0.000 A ATOM 27 C LIG 1 7.957 0.947 -3.246 0.00 0.00 +0.000 A ATOM 28 C LIG 1 8.169 1.314 -1.915 0.00 0.00 +0.004 A ENDBRANCH 14 23 BRANCH 19 29 ATOM 29 O LIG 1 10.084 1.809 6.567 0.00 0.00 -0.507 OA ATOM 30 H LIG 1 10.240 2.768 6.581 0.00 0.00 +0.292 HD ENDBRANCH 19 29 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 31 ATOM 31 C LIG 1 -0.805 -1.832 -0.774 0.00 0.00 +0.088 C BRANCH 31 42 ATOM 32 N LIG 1 -10.273 0.795 0.431 0.00 0.00 -0.282 N ATOM 33 C LIG 1 -10.171 0.530 -0.922 0.00 0.00 +0.248 C ATOM 34 O LIG 1 -11.050 0.551 -1.760 0.00 0.00 -0.270 OA ATOM 35 C LIG 1 -8.760 0.233 -1.189 0.00 0.00 +0.045 A ATOM 36 C LIG 1 -8.053 0.375 0.001 0.00 0.00 -0.016 A ATOM 37 C LIG 1 -6.685 0.147 0.041 0.00 0.00 +0.032 A ATOM 38 C LIG 1 -6.009 -0.229 -1.135 0.00 0.00 +0.073 A ATOM 39 N LIG 1 -4.639 -0.445 -1.157 0.00 0.00 -0.318 N ATOM 40 C LIG 1 -4.033 -0.766 -2.463 0.00 0.00 +0.125 C ATOM 41 C LIG 1 -2.749 -1.600 -2.226 0.00 0.00 +0.110 C ATOM 42 N LIG 1 -1.692 -0.886 -1.467 0.00 0.00 -0.299 NA ATOM 43 C LIG 1 -2.282 0.126 -0.560 0.00 0.00 +0.103 C ATOM 44 C LIG 1 -5.030 -1.558 -3.311 0.00 0.00 +0.252 C ATOM 45 O LIG 1 -6.236 -0.814 -3.520 0.00 0.00 -0.488 OA ATOM 46 C LIG 1 -3.723 -0.141 -0.054 0.00 0.00 +0.121 C ATOM 47 C LIG 1 -6.786 -0.399 -2.323 0.00 0.00 +0.142 A ATOM 48 C LIG 1 -8.158 -0.146 -2.367 0.00 0.00 +0.061 A ATOM 49 C LIG 1 -8.979 0.785 1.095 0.00 0.00 +0.144 C BRANCH 32 56 ATOM 50 O LIG 1 -15.044 1.468 -1.015 0.00 0.00 -0.275 OA ATOM 51 C LIG 1 -13.989 1.345 -0.396 0.00 0.00 +0.219 C ATOM 52 N LIG 1 -13.235 2.446 -0.079 0.00 0.00 -0.255 N ATOM 53 H LIG 1 -13.573 3.324 -0.447 0.00 0.00 +0.158 HD ATOM 54 C LIG 1 -12.037 2.497 0.591 0.00 0.00 +0.240 C ATOM 55 O LIG 1 -11.421 3.559 0.698 0.00 0.00 -0.273 OA ATOM 56 C LIG 1 -11.490 1.177 1.137 0.00 0.00 +0.163 C ATOM 57 C LIG 1 -12.552 0.086 1.241 0.00 0.00 +0.041 C ATOM 58 C LIG 1 -13.464 -0.003 0.031 0.00 0.00 +0.098 C ENDBRANCH 32 56 ENDBRANCH 31 42 ENDBRANCH 1 31 TORSDOF 7