REMARK Name = BDB001027 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.157 -1.674 0.338 0.00 0.00 +0.034 A ATOM 2 C LIG 1 -1.737 -0.442 0.672 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -3.097 -0.268 0.464 0.00 0.00 -0.032 A ATOM 4 C LIG 1 -3.943 0.948 0.738 0.00 0.00 +0.073 C ATOM 5 C LIG 1 -5.291 0.457 0.288 0.00 0.00 -0.011 A ATOM 6 C LIG 1 -6.559 1.178 0.298 0.00 0.00 -0.007 A ATOM 7 C LIG 1 -7.708 0.512 -0.176 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -8.950 1.155 -0.190 0.00 0.00 +0.014 A ATOM 9 C LIG 1 -9.052 2.468 0.268 0.00 0.00 +0.001 A ATOM 10 C LIG 1 -7.919 3.135 0.738 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -7.598 -0.898 -0.667 0.00 0.00 +0.257 A ATOM 12 O LIG 1 -8.572 -1.514 -1.087 0.00 0.00 -0.267 OA ATOM 13 N LIG 1 -6.341 -1.469 -0.624 0.00 0.00 -0.321 N ATOM 14 H LIG 1 -6.266 -2.421 -0.956 0.00 0.00 +0.169 HD ATOM 15 C LIG 1 -6.676 2.495 0.754 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -5.252 -0.804 -0.163 0.00 0.00 +0.054 A ATOM 17 C LIG 1 -3.891 -1.296 -0.070 0.00 0.00 +0.002 A ATOM 18 C LIG 1 -3.333 -2.516 -0.403 0.00 0.00 +0.012 A ATOM 19 C LIG 1 -1.959 -2.700 -0.195 0.00 0.00 +0.024 A ENDROOT BRANCH 1 22 ATOM 20 O LIG 1 0.719 -3.949 -0.225 0.00 0.00 -0.274 OA ATOM 21 C LIG 1 1.048 -2.880 0.279 0.00 0.00 +0.231 C ATOM 22 N LIG 1 0.223 -1.808 0.565 0.00 0.00 -0.284 N ATOM 23 H LIG 1 0.725 -1.004 0.938 0.00 0.00 +0.155 HD BRANCH 21 24 ATOM 24 C LIG 1 2.499 -2.631 0.723 0.00 0.00 +0.180 C BRANCH 24 25 ATOM 25 N LIG 1 2.827 -1.180 0.735 0.00 0.00 -0.291 NA ATOM 26 C LIG 1 3.014 -0.653 -0.643 0.00 0.00 +0.104 C ATOM 27 C LIG 1 4.477 -0.498 -1.124 0.00 0.00 +0.120 C ATOM 28 N LIG 1 5.252 0.338 -0.194 0.00 0.00 -0.327 N ATOM 29 C LIG 1 4.809 0.343 1.210 0.00 0.00 +0.120 C ATOM 30 C LIG 1 4.049 -0.960 1.546 0.00 0.00 +0.104 C BRANCH 28 31 ATOM 31 C LIG 1 6.366 1.049 -0.606 0.00 0.00 +0.030 A ATOM 32 C LIG 1 7.050 0.734 -1.794 0.00 0.00 +0.026 A ATOM 33 C LIG 1 8.177 1.451 -2.214 0.00 0.00 +0.040 A ATOM 34 C LIG 1 8.639 2.506 -1.446 0.00 0.00 +0.124 A ATOM 35 F LIG 1 9.716 3.196 -1.844 0.00 0.00 -0.205 F ATOM 36 C LIG 1 7.996 2.854 -0.271 0.00 0.00 +0.040 A ATOM 37 C LIG 1 6.872 2.130 0.141 0.00 0.00 +0.026 A ENDBRANCH 28 31 ENDBRANCH 24 25 ENDBRANCH 21 24 ENDBRANCH 1 22 TORSDOF 4