REMARK Name = BDB006565 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.512 -0.687 1.071 0.00 0.00 -0.339 N ATOM 2 C LIG 1 -0.451 -0.609 0.185 0.00 0.00 +0.050 A ATOM 3 C LIG 1 0.509 0.222 0.767 0.00 0.00 +0.004 A ATOM 4 C LIG 1 1.707 0.478 0.063 0.00 0.00 +0.023 A ATOM 5 C LIG 1 1.918 -0.109 -1.194 0.00 0.00 +0.037 A ATOM 6 C LIG 1 0.934 -0.920 -1.761 0.00 0.00 +0.015 A ATOM 7 C LIG 1 0.001 0.654 2.032 0.00 0.00 -0.022 A ATOM 8 C LIG 1 0.681 1.563 2.996 0.00 0.00 +0.046 C ATOM 9 C LIG 1 -0.259 -1.186 -1.083 0.00 0.00 +0.027 A ATOM 10 C LIG 1 -1.243 0.063 2.202 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.193 0.178 3.346 0.00 0.00 +0.064 C ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 3.168 0.131 -1.968 0.00 0.00 +0.245 C ATOM 13 N LIG 1 4.299 0.401 -1.228 0.00 0.00 -0.305 N ATOM 14 H LIG 1 4.287 0.208 -0.236 0.00 0.00 +0.150 HD ATOM 15 O LIG 1 3.163 0.049 -3.191 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.603 0.554 -1.855 0.00 0.00 +0.100 C ATOM 17 C LIG 1 5.724 1.894 -2.587 0.00 0.00 +0.033 C BRANCH 16 18 ATOM 18 C LIG 1 6.690 0.376 -0.808 0.00 0.00 -0.027 A ATOM 19 C LIG 1 7.482 -0.785 -0.817 0.00 0.00 +0.009 A ATOM 20 C LIG 1 8.482 -0.997 0.147 0.00 0.00 -0.044 A ATOM 21 C LIG 1 8.677 -0.024 1.136 0.00 0.00 +0.004 A ATOM 22 C LIG 1 7.892 1.129 1.163 0.00 0.00 +0.001 A ATOM 23 C LIG 1 6.903 1.326 0.201 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 C LIG 1 9.320 -2.263 0.098 0.00 0.00 +0.013 C ATOM 25 C LIG 1 10.803 -1.949 -0.119 0.00 0.00 +0.012 C ATOM 26 C LIG 1 9.121 -3.118 1.352 0.00 0.00 +0.012 C ENDBRANCH 20 24 ENDBRANCH 16 18 ENDBRANCH 13 16 ENDBRANCH 5 12 BRANCH 1 27 ATOM 27 C LIG 1 -2.715 -1.494 0.857 0.00 0.00 +0.157 C BRANCH 27 31 ATOM 28 C LIG 1 -6.233 0.817 -0.221 0.00 0.00 -0.017 A ATOM 29 C LIG 1 -6.250 -0.060 0.873 0.00 0.00 +0.009 A ATOM 30 C LIG 1 -5.112 -0.796 1.221 0.00 0.00 +0.006 A ATOM 31 C LIG 1 -3.924 -0.665 0.491 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -3.906 0.205 -0.607 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -5.045 0.939 -0.954 0.00 0.00 +0.009 A BRANCH 28 35 ATOM 34 C LIG 1 -8.610 1.028 -1.076 0.00 0.00 +0.044 A ATOM 35 C LIG 1 -7.423 1.603 -0.583 0.00 0.00 -0.006 A ATOM 36 C LIG 1 -7.399 3.000 -0.408 0.00 0.00 +0.009 A ATOM 37 C LIG 1 -8.511 3.791 -0.713 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.675 3.202 -1.201 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -9.726 1.822 -1.386 0.00 0.00 +0.013 A BRANCH 34 43 ATOM 40 C LIG 1 -9.989 -2.460 -0.781 0.00 0.00 +0.128 C ATOM 41 N LIG 1 -9.711 -1.059 -0.600 0.00 0.00 -0.314 N ATOM 42 H LIG 1 -10.314 -0.512 0.000 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -8.717 -0.431 -1.320 0.00 0.00 +0.244 C ATOM 44 O LIG 1 -7.979 -0.992 -2.118 0.00 0.00 -0.270 OA ENDBRANCH 34 43 ENDBRANCH 28 35 ENDBRANCH 27 31 ENDBRANCH 1 27 TORSDOF 8