REMARK Name = BDB020694 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.761 -0.136 0.576 0.00 0.00 +0.043 A ATOM 2 C LIG 1 1.708 0.896 0.136 0.00 0.00 -0.017 A ATOM 3 C LIG 1 3.125 0.715 0.629 0.00 0.00 +0.046 C ATOM 4 C LIG 1 1.251 1.931 -0.633 0.00 0.00 +0.044 A ATOM 5 N LIG 1 -0.146 1.972 -0.923 0.00 0.00 -0.318 N ATOM 6 C LIG 1 -1.054 0.998 -0.483 0.00 0.00 +0.055 A ATOM 7 C LIG 1 -2.324 1.318 -0.928 0.00 0.00 +0.007 A ATOM 8 C LIG 1 -2.213 2.515 -1.665 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.893 2.901 -1.625 0.00 0.00 +0.092 A ATOM 10 C LIG 1 -0.547 -0.088 0.280 0.00 0.00 +0.040 A ENDROOT BRANCH 7 11 ATOM 11 C LIG 1 -3.509 0.526 -0.668 0.00 0.00 -0.016 A ATOM 12 C LIG 1 -4.191 -0.083 -1.720 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -5.331 -0.860 -1.466 0.00 0.00 +0.024 A ATOM 14 C LIG 1 -5.832 -1.051 -0.167 0.00 0.00 +0.030 A ATOM 15 C LIG 1 -5.133 -0.408 0.870 0.00 0.00 +0.024 A ATOM 16 C LIG 1 -3.990 0.367 0.631 0.00 0.00 +0.010 A BRANCH 14 17 ATOM 17 N LIG 1 -6.952 -1.825 0.079 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -7.883 -2.227 -0.991 0.00 0.00 +0.133 C ATOM 19 C LIG 1 -9.274 -2.521 -0.401 0.00 0.00 +0.178 C ATOM 20 O LIG 1 -9.282 -3.563 0.582 0.00 0.00 -0.377 OA ATOM 21 C LIG 1 -8.042 -3.676 1.300 0.00 0.00 +0.178 C ATOM 22 C LIG 1 -7.255 -2.357 1.418 0.00 0.00 +0.133 C ENDBRANCH 14 17 ENDBRANCH 7 11 BRANCH 1 25 ATOM 23 N LIG 1 1.567 -2.377 0.540 0.00 0.00 -0.307 N ATOM 24 H LIG 1 1.551 -2.262 -0.468 0.00 0.00 +0.149 HD ATOM 25 C LIG 1 1.187 -1.335 1.346 0.00 0.00 +0.245 C ATOM 26 O LIG 1 1.197 -1.348 2.570 0.00 0.00 -0.270 OA BRANCH 23 27 ATOM 27 C LIG 1 2.132 -3.600 1.061 0.00 0.00 +0.145 C BRANCH 27 34 ATOM 28 C LIG 1 7.780 -3.802 -0.333 0.00 0.00 +0.063 C ATOM 29 C LIG 1 6.352 -3.716 0.115 0.00 0.00 +0.016 A ATOM 30 N LIG 1 5.386 -4.080 -0.788 0.00 0.00 -0.326 N ATOM 31 H LIG 1 5.651 -4.395 -1.713 0.00 0.00 +0.169 HD ATOM 32 C LIG 1 4.036 -4.036 -0.543 0.00 0.00 +0.254 A ATOM 33 O LIG 1 3.223 -4.341 -1.410 0.00 0.00 -0.268 OA ATOM 34 C LIG 1 3.614 -3.586 0.824 0.00 0.00 +0.037 A ATOM 35 C LIG 1 4.572 -3.243 1.713 0.00 0.00 -0.039 A ATOM 36 C LIG 1 4.329 -2.778 3.123 0.00 0.00 +0.044 C ATOM 37 C LIG 1 5.976 -3.301 1.333 0.00 0.00 +0.024 A ENDBRANCH 27 34 ENDBRANCH 23 27 ENDBRANCH 1 25 BRANCH 4 38 ATOM 38 C LIG 1 2.218 2.997 -1.182 0.00 0.00 +0.101 C ATOM 39 C LIG 1 2.047 3.419 -2.655 0.00 0.00 +0.031 C BRANCH 38 40 ATOM 40 N LIG 1 2.451 4.097 -0.229 0.00 0.00 -0.290 NA ATOM 41 C LIG 1 1.294 4.954 0.067 0.00 0.00 +0.113 C ATOM 42 C LIG 1 1.720 6.216 0.836 0.00 0.00 +0.175 C ATOM 43 O LIG 1 2.596 7.062 0.078 0.00 0.00 -0.377 OA ATOM 44 C LIG 1 3.373 6.346 -0.891 0.00 0.00 +0.175 C ATOM 45 C LIG 1 3.667 4.893 -0.484 0.00 0.00 +0.113 C ENDBRANCH 38 40 ENDBRANCH 4 38 TORSDOF 7