REMARK Name = BDB015051 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.975 -0.639 0.078 0.00 0.00 -0.489 OA ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.117 -1.195 0.585 0.00 0.00 +0.121 A ATOM 3 C LIG 1 3.303 -0.606 0.131 0.00 0.00 +0.054 A ATOM 4 C LIG 1 4.562 -1.062 0.557 0.00 0.00 -0.014 A ATOM 5 C LIG 1 4.601 -2.136 1.459 0.00 0.00 +0.009 A ATOM 6 C LIG 1 3.423 -2.730 1.916 0.00 0.00 +0.004 A ATOM 7 C LIG 1 2.183 -2.261 1.481 0.00 0.00 +0.045 A BRANCH 4 8 ATOM 8 C LIG 1 5.803 -0.432 0.072 0.00 0.00 -0.016 A ATOM 9 C LIG 1 5.993 0.959 0.207 0.00 0.00 +0.036 A ATOM 10 C LIG 1 7.192 1.502 -0.268 0.00 0.00 +0.067 A ATOM 11 C LIG 1 8.191 0.741 -0.861 0.00 0.00 +0.089 A ATOM 12 N LIG 1 9.254 1.529 -1.231 0.00 0.00 -0.236 NA ATOM 13 C LIG 1 8.919 2.748 -0.875 0.00 0.00 +0.197 A ATOM 14 C LIG 1 8.006 -0.640 -0.999 0.00 0.00 +0.030 A ATOM 15 N LIG 1 7.685 2.781 -0.289 0.00 0.00 -0.344 N ATOM 16 H LIG 1 7.218 3.604 0.065 0.00 0.00 +0.167 HD ATOM 17 C LIG 1 6.811 -1.208 -0.529 0.00 0.00 +0.011 A ENDBRANCH 4 8 ENDBRANCH 1 2 BRANCH 1 18 ATOM 18 C LIG 1 -0.272 -1.189 0.523 0.00 0.00 +0.261 C BRANCH 18 19 ATOM 19 C LIG 1 -1.397 -0.408 -0.173 0.00 0.00 +0.166 C BRANCH 19 20 ATOM 20 O LIG 1 -1.306 -0.643 -1.586 0.00 0.00 -0.387 OA ATOM 21 H LIG 1 -0.394 -0.410 -1.841 0.00 0.00 +0.210 HD ENDBRANCH 19 20 BRANCH 19 22 ATOM 22 C LIG 1 -2.777 -0.870 0.351 0.00 0.00 +0.119 C BRANCH 22 23 ATOM 23 N LIG 1 -3.922 -0.087 -0.158 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -5.181 -0.816 0.093 0.00 0.00 +0.120 C ATOM 25 C LIG 1 -6.433 -0.030 -0.240 0.00 0.00 -0.030 A ATOM 26 C LIG 1 -6.397 1.369 -0.358 0.00 0.00 -0.042 A ATOM 27 C LIG 1 -7.574 2.077 -0.638 0.00 0.00 +0.004 A ATOM 28 C LIG 1 -8.786 1.401 -0.773 0.00 0.00 +0.000 A ATOM 29 C LIG 1 -8.830 0.015 -0.636 0.00 0.00 +0.000 A ATOM 30 C LIG 1 -5.081 2.095 -0.252 0.00 0.00 +0.051 C ATOM 31 C LIG 1 -7.660 -0.697 -0.369 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -3.999 1.254 0.440 0.00 0.00 +0.089 C ENDBRANCH 22 23 ENDBRANCH 19 22 ENDBRANCH 18 19 ENDBRANCH 1 18 TORSDOF 7