REMARK Name = BDB064988 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.707 0.882 -3.818 0.00 0.00 +0.047 C ATOM 2 C LIG 1 -3.285 0.630 -2.399 0.00 0.00 -0.007 A ATOM 3 C LIG 1 -1.993 0.173 -2.101 0.00 0.00 +0.141 A ATOM 4 C LIG 1 -1.622 -0.065 -0.778 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.261 -0.553 -0.486 0.00 0.00 +0.200 A ATOM 6 C LIG 1 0.645 -0.738 -1.652 0.00 0.00 +0.064 A ATOM 7 C LIG 1 0.143 -0.459 -2.865 0.00 0.00 +0.208 A ATOM 8 O LIG 1 0.084 -0.798 0.664 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 -2.529 0.152 0.266 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -3.821 0.615 -0.011 0.00 0.00 -0.032 A ATOM 11 O LIG 1 -1.129 -0.029 -3.150 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 -4.189 0.844 -1.347 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 2.042 -1.176 -1.499 0.00 0.00 -0.011 A ATOM 14 C LIG 1 2.914 -0.475 -0.651 0.00 0.00 +0.013 A ATOM 15 C LIG 1 4.266 -0.845 -0.460 0.00 0.00 -0.033 A ATOM 16 C LIG 1 4.702 -1.976 -1.177 0.00 0.00 +0.004 A ATOM 17 C LIG 1 3.852 -2.690 -2.026 0.00 0.00 +0.001 A ATOM 18 C LIG 1 2.528 -2.292 -2.187 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 5.215 0.009 0.528 0.00 0.00 +0.056 C ATOM 20 C LIG 1 4.763 0.050 2.038 0.00 0.00 +0.022 C ATOM 21 C LIG 1 5.735 -1.125 2.299 0.00 0.00 -0.012 C ATOM 22 C LIG 1 6.454 -1.127 3.632 0.00 0.00 +0.007 C ATOM 23 C LIG 1 6.543 -0.624 1.079 0.00 0.00 +0.022 C BRANCH 19 24 ATOM 24 C LIG 1 5.457 1.450 -0.080 0.00 0.00 +0.144 A ATOM 25 N LIG 1 6.115 1.763 -1.238 0.00 0.00 -0.320 N ATOM 26 C LIG 1 6.734 0.867 -2.173 0.00 0.00 +0.151 C ATOM 27 C LIG 1 6.056 3.118 -1.350 0.00 0.00 +0.224 A ATOM 28 N LIG 1 5.402 3.615 -0.327 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 5.019 2.563 0.471 0.00 0.00 -0.134 NA ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 -4.815 0.844 1.104 0.00 0.00 +0.116 C BRANCH 30 31 ATOM 31 N LIG 1 -5.842 -0.197 1.087 0.00 0.00 -0.307 NA ATOM 32 H LIG 1 -5.389 -1.097 1.246 0.00 0.00 +0.123 HD BRANCH 31 33 ATOM 33 C LIG 1 -6.957 0.082 2.010 0.00 0.00 +0.017 C ATOM 34 C LIG 1 -8.044 -1.002 1.739 0.00 0.00 +0.022 C ATOM 35 C LIG 1 -8.663 -0.068 0.681 0.00 0.00 +0.004 C ATOM 36 C LIG 1 -7.933 1.106 1.365 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -6.567 0.249 3.464 0.00 0.00 +0.027 C ENDBRANCH 31 33 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6