REMARK Name = BDB006315 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.295 2.606 -2.308 0.00 0.00 +0.046 C ATOM 2 C LIG 1 -0.138 1.294 -1.751 0.00 0.00 -0.022 A ATOM 3 C LIG 1 0.497 0.562 -0.699 0.00 0.00 +0.004 A ATOM 4 C LIG 1 -0.244 -0.602 -0.485 0.00 0.00 +0.050 A ATOM 5 C LIG 1 0.110 -1.533 0.508 0.00 0.00 +0.027 A ATOM 6 C LIG 1 1.244 -1.277 1.284 0.00 0.00 +0.015 A ATOM 7 C LIG 1 2.014 -0.132 1.077 0.00 0.00 +0.037 A ATOM 8 N LIG 1 -1.295 -0.586 -1.387 0.00 0.00 -0.339 N ATOM 9 C LIG 1 1.639 0.800 0.098 0.00 0.00 +0.023 A ATOM 10 C LIG 1 -1.237 0.556 -2.163 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -2.242 0.870 -3.221 0.00 0.00 +0.064 C ENDROOT BRANCH 7 12 ATOM 12 C LIG 1 3.212 0.076 1.937 0.00 0.00 +0.244 C ATOM 13 N LIG 1 4.242 0.806 1.380 0.00 0.00 -0.307 N ATOM 14 H LIG 1 4.234 0.972 0.383 0.00 0.00 +0.149 HD ATOM 15 O LIG 1 3.261 -0.417 3.058 0.00 0.00 -0.270 OA BRANCH 13 16 ATOM 16 C LIG 1 5.508 0.959 2.059 0.00 0.00 +0.140 C BRANCH 16 17 ATOM 17 C LIG 1 6.519 -0.032 1.538 0.00 0.00 -0.029 A ATOM 18 C LIG 1 7.444 0.338 0.553 0.00 0.00 +0.032 A ATOM 19 C LIG 1 8.354 -0.606 0.065 0.00 0.00 +0.088 A ATOM 20 C LIG 1 8.336 -1.925 0.524 0.00 0.00 +0.027 A ATOM 21 C LIG 1 7.414 -2.297 1.499 0.00 0.00 +0.002 A ATOM 22 C LIG 1 6.512 -1.357 2.003 0.00 0.00 +0.005 A BRANCH 19 23 ATOM 23 S LIG 1 9.518 -0.135 -1.191 0.00 0.00 -0.006 S ATOM 24 O LIG 1 9.020 1.075 -1.818 0.00 0.00 -0.170 OA ATOM 25 O LIG 1 9.811 -1.315 -1.982 0.00 0.00 -0.170 OA ATOM 26 C LIG 1 10.969 0.286 -0.262 0.00 0.00 +0.200 C ENDBRANCH 19 23 ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 7 12 BRANCH 8 27 ATOM 27 C LIG 1 -2.289 -1.653 -1.524 0.00 0.00 +0.157 C BRANCH 27 28 ATOM 28 C LIG 1 -3.648 -1.277 -0.981 0.00 0.00 -0.028 A ATOM 29 C LIG 1 -3.803 -0.699 0.286 0.00 0.00 +0.006 A ATOM 30 C LIG 1 -5.072 -0.369 0.769 0.00 0.00 +0.009 A ATOM 31 C LIG 1 -6.219 -0.621 0.004 0.00 0.00 -0.017 A ATOM 32 C LIG 1 -6.067 -1.224 -1.251 0.00 0.00 +0.009 A ATOM 33 C LIG 1 -4.797 -1.550 -1.737 0.00 0.00 +0.006 A BRANCH 31 34 ATOM 34 C LIG 1 -7.551 -0.277 0.518 0.00 0.00 -0.004 A ATOM 35 C LIG 1 -8.126 1.003 0.383 0.00 0.00 +0.067 A ATOM 36 C LIG 1 -9.386 1.277 0.943 0.00 0.00 +0.015 A ATOM 37 C LIG 1 -10.085 0.287 1.632 0.00 0.00 +0.001 A ATOM 38 C LIG 1 -9.531 -0.983 1.766 0.00 0.00 +0.001 A ATOM 39 C LIG 1 -8.278 -1.260 1.217 0.00 0.00 +0.009 A BRANCH 35 40 ATOM 40 C LIG 1 -7.441 2.080 -0.373 0.00 0.00 +0.337 C ATOM 41 O LIG 1 -6.809 1.976 -1.406 0.00 0.00 -0.245 OA BRANCH 40 42 ATOM 42 O LIG 1 -7.595 3.273 0.233 0.00 0.00 -0.477 OA ATOM 43 H LIG 1 -7.080 3.885 -0.335 0.00 0.00 +0.295 HD ENDBRANCH 40 42 ENDBRANCH 35 40 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 8 27 TORSDOF 9