REMARK Name = BDB058113 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.570 -0.806 -0.854 0.00 0.00 -0.024 A ATOM 2 C LIG 1 0.078 0.428 -1.002 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.432 0.602 -0.668 0.00 0.00 +0.129 A ATOM 4 O LIG 1 1.842 1.900 -0.832 0.00 0.00 -0.485 OA ATOM 5 C LIG 1 3.230 2.233 -0.751 0.00 0.00 +0.285 C ATOM 6 C LIG 1 3.809 2.050 0.634 0.00 0.00 +0.086 A ATOM 7 C LIG 1 3.982 0.750 1.119 0.00 0.00 +0.008 A ATOM 8 C LIG 1 3.602 -0.377 0.239 0.00 0.00 +0.001 C ATOM 9 C LIG 1 4.585 -1.171 -0.259 0.00 0.00 +0.004 C ATOM 10 C LIG 1 6.060 -1.066 0.032 0.00 0.00 +0.048 C ATOM 11 C LIG 1 4.469 0.581 2.416 0.00 0.00 +0.012 A ATOM 12 C LIG 1 4.790 1.704 3.172 0.00 0.00 +0.020 A ATOM 13 C LIG 1 4.610 2.955 2.604 0.00 0.00 +0.111 A ATOM 14 N LIG 1 4.133 3.155 1.356 0.00 0.00 -0.256 NA ATOM 15 C LIG 1 2.175 -0.491 -0.184 0.00 0.00 +0.025 A ATOM 16 C LIG 1 1.511 -1.720 -0.003 0.00 0.00 +0.012 A ATOM 17 C LIG 1 0.168 -1.882 -0.352 0.00 0.00 +0.006 A ENDROOT BRANCH 9 18 ATOM 18 C LIG 1 4.277 -2.189 -1.290 0.00 0.00 +0.179 A ATOM 19 N LIG 1 4.515 -3.467 -1.000 0.00 0.00 -0.272 N ATOM 20 H LIG 1 4.867 -3.877 -0.154 0.00 0.00 +0.174 HD ATOM 21 C LIG 1 4.145 -4.176 -2.077 0.00 0.00 +0.440 A ATOM 22 O LIG 1 4.190 -5.391 -2.176 0.00 0.00 -0.221 OA ATOM 23 O LIG 1 3.700 -3.308 -3.040 0.00 0.00 -0.295 OA ATOM 24 N LIG 1 3.807 -1.999 -2.472 0.00 0.00 -0.055 NA ENDBRANCH 9 18 BRANCH 1 25 ATOM 25 C LIG 1 -2.011 -0.998 -1.262 0.00 0.00 +0.158 C BRANCH 25 27 ATOM 26 C LIG 1 -3.438 -0.126 0.643 0.00 0.00 +0.111 A ATOM 27 N LIG 1 -2.917 -0.047 -0.632 0.00 0.00 -0.323 N ATOM 28 C LIG 1 -3.467 1.058 -1.251 0.00 0.00 +0.069 A ATOM 29 C LIG 1 -4.295 1.619 -0.282 0.00 0.00 +0.092 A ATOM 30 C LIG 1 -5.026 2.790 -0.566 0.00 0.00 -0.023 A ATOM 31 C LIG 1 -4.880 3.351 -1.850 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -4.045 2.773 -2.808 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -5.935 3.448 0.429 0.00 0.00 +0.046 C ATOM 34 C LIG 1 -3.320 1.612 -2.529 0.00 0.00 +0.028 A ATOM 35 N LIG 1 -4.261 0.877 0.872 0.00 0.00 -0.232 NA BRANCH 26 36 ATOM 36 C LIG 1 -3.118 -1.195 1.639 0.00 0.00 +0.074 C BRANCH 36 38 ATOM 37 C LIG 1 -5.477 -2.117 1.931 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -4.040 -2.410 1.522 0.00 0.00 +0.004 C ENDBRANCH 36 38 ENDBRANCH 26 36 ENDBRANCH 25 27 ENDBRANCH 1 25 TORSDOF 5