REMARK Name = BDB063499 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.995 0.261 -1.764 0.00 0.00 +0.122 A ATOM 2 C LIG 1 3.867 -0.047 -0.991 0.00 0.00 +0.056 A ATOM 3 C LIG 1 2.842 0.892 -0.816 0.00 0.00 +0.014 A ATOM 4 C LIG 1 2.955 2.142 -1.415 0.00 0.00 +0.050 A ATOM 5 C LIG 1 1.879 3.127 -1.231 0.00 0.00 +0.272 A ATOM 6 N LIG 1 0.820 2.723 -0.459 0.00 0.00 -0.242 N ATOM 7 H LIG 1 0.067 3.390 -0.317 0.00 0.00 +0.192 HD ATOM 8 N LIG 1 0.680 1.511 0.141 0.00 0.00 -0.175 NA ATOM 9 O LIG 1 1.938 4.238 -1.744 0.00 0.00 -0.266 OA ATOM 10 C LIG 1 4.082 2.461 -2.180 0.00 0.00 +0.017 A ATOM 11 C LIG 1 1.620 0.625 -0.012 0.00 0.00 +0.074 A ATOM 12 C LIG 1 5.101 1.521 -2.352 0.00 0.00 +0.046 A ENDROOT BRANCH 1 13 ATOM 13 O LIG 1 5.914 -0.748 -1.841 0.00 0.00 -0.486 OA BRANCH 13 14 ATOM 14 C LIG 1 7.004 -0.631 -2.758 0.00 0.00 +0.284 C BRANCH 14 20 ATOM 15 C LIG 1 8.294 -1.516 -0.079 0.00 0.00 +0.152 C ATOM 16 N LIG 1 8.681 -0.357 -0.851 0.00 0.00 -0.309 N ATOM 17 C LIG 1 9.669 0.548 -0.552 0.00 0.00 +0.291 A ATOM 18 N LIG 1 9.844 1.432 -1.514 0.00 0.00 -0.215 NA ATOM 19 C LIG 1 8.902 1.120 -2.454 0.00 0.00 +0.139 A ATOM 20 C LIG 1 8.143 0.033 -2.066 0.00 0.00 +0.077 A BRANCH 17 21 ATOM 21 N LIG 1 10.432 0.551 0.668 0.00 0.00 +0.093 N ATOM 22 O LIG 1 11.555 1.070 0.636 0.00 0.00 -0.123 OA ATOM 23 O LIG 1 9.911 0.027 1.664 0.00 0.00 -0.123 OA ENDBRANCH 17 21 ENDBRANCH 14 20 ENDBRANCH 13 14 ENDBRANCH 1 13 BRANCH 11 24 ATOM 24 C LIG 1 1.481 -0.740 0.657 0.00 0.00 +0.093 C BRANCH 24 25 ATOM 25 C LIG 1 0.190 -0.954 1.414 0.00 0.00 -0.041 A ATOM 26 C LIG 1 -0.949 -1.430 0.748 0.00 0.00 +0.020 A ATOM 27 C LIG 1 -2.152 -1.595 1.445 0.00 0.00 +0.072 A ATOM 28 C LIG 1 -2.211 -1.323 2.808 0.00 0.00 +0.135 A ATOM 29 F LIG 1 -3.342 -1.514 3.502 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -1.090 -0.844 3.478 0.00 0.00 +0.039 A ATOM 31 C LIG 1 0.106 -0.652 2.783 0.00 0.00 +0.007 A BRANCH 27 32 ATOM 32 C LIG 1 -3.323 -2.116 0.720 0.00 0.00 +0.249 C ATOM 33 N LIG 1 -4.486 -1.354 0.668 0.00 0.00 -0.294 N ATOM 34 C LIG 1 -4.585 0.050 1.097 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -5.686 0.821 0.357 0.00 0.00 +0.127 C ATOM 36 N LIG 1 -6.985 0.151 0.440 0.00 0.00 -0.298 N ATOM 37 C LIG 1 -8.135 0.923 0.506 0.00 0.00 +0.219 C ATOM 38 O LIG 1 -8.133 2.148 0.459 0.00 0.00 -0.275 OA ATOM 39 C LIG 1 -6.974 -1.315 0.490 0.00 0.00 +0.127 C ATOM 40 C LIG 1 -5.655 -1.922 -0.004 0.00 0.00 +0.127 C ATOM 41 O LIG 1 -3.205 -3.203 0.159 0.00 0.00 -0.270 OA BRANCH 37 42 ATOM 42 C LIG 1 -9.427 0.194 0.655 0.00 0.00 +0.075 C ATOM 43 C LIG 1 -10.720 0.836 0.200 0.00 0.00 +0.013 C ATOM 44 C LIG 1 -10.153 -0.317 -0.570 0.00 0.00 +0.013 C ENDBRANCH 37 42 ENDBRANCH 27 32 ENDBRANCH 24 25 ENDBRANCH 11 24 TORSDOF 8