REMARK Name = BDB058233 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.539 -1.152 -0.356 0.00 0.00 +0.150 A ATOM 2 C LIG 1 -3.697 -1.934 -0.284 0.00 0.00 +0.129 A ATOM 3 C LIG 1 -4.869 -1.184 -0.213 0.00 0.00 +0.096 A ATOM 4 C LIG 1 -6.057 -1.894 -0.130 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -6.069 -3.289 -0.116 0.00 0.00 +0.026 A ATOM 6 C LIG 1 -4.859 -3.965 -0.182 0.00 0.00 +0.056 A ATOM 7 N LIG 1 -4.907 0.155 -0.219 0.00 0.00 -0.213 NA ATOM 8 C LIG 1 -3.744 0.811 -0.299 0.00 0.00 +0.222 A ATOM 9 N LIG 1 -3.681 -3.303 -0.260 0.00 0.00 -0.246 NA ATOM 10 N LIG 1 -2.558 0.198 -0.367 0.00 0.00 -0.197 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -1.296 -1.827 -0.500 0.00 0.00 -0.324 N ATOM 12 H LIG 1 -1.356 -2.682 0.053 0.00 0.00 +0.148 HD BRANCH 11 16 ATOM 13 C LIG 1 2.793 -0.554 -0.910 0.00 0.00 +0.057 C ATOM 14 C LIG 1 2.361 -1.263 0.383 0.00 0.00 +0.021 C ATOM 15 C LIG 1 1.030 -1.993 0.201 0.00 0.00 +0.024 C ATOM 16 C LIG 1 -0.084 -1.042 -0.266 0.00 0.00 +0.072 C ATOM 17 C LIG 1 0.345 -0.336 -1.560 0.00 0.00 +0.024 C ATOM 18 C LIG 1 1.677 0.396 -1.391 0.00 0.00 +0.021 C BRANCH 13 23 ATOM 19 C LIG 1 7.480 0.335 1.144 0.00 0.00 +0.403 C ATOM 20 N LIG 1 6.216 -0.223 1.065 0.00 0.00 -0.265 N ATOM 21 C LIG 1 5.964 -1.248 0.061 0.00 0.00 +0.126 C ATOM 22 C LIG 1 5.264 -0.628 -1.164 0.00 0.00 +0.104 C ATOM 23 N LIG 1 4.064 0.183 -0.864 0.00 0.00 -0.296 NA ATOM 24 C LIG 1 4.284 1.097 0.276 0.00 0.00 +0.104 C ATOM 25 C LIG 1 5.013 0.483 1.494 0.00 0.00 +0.126 C ATOM 26 O LIG 1 8.462 -0.109 0.560 0.00 0.00 -0.226 OA BRANCH 19 28 ATOM 27 C LIG 1 8.808 2.032 2.061 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.517 1.433 1.948 0.00 0.00 -0.454 OA ENDBRANCH 19 28 ENDBRANCH 13 23 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 8 29 ATOM 29 N LIG 1 -3.698 2.205 -0.321 0.00 0.00 -0.281 N ATOM 30 H LIG 1 -2.728 2.482 -0.406 0.00 0.00 +0.155 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.683 3.121 -0.272 0.00 0.00 +0.071 A ATOM 32 C LIG 1 -4.487 4.480 -0.322 0.00 0.00 +0.131 A ATOM 33 N LIG 1 -5.730 5.040 -0.245 0.00 0.00 -0.273 N ATOM 34 C LIG 1 -6.050 6.446 -0.260 0.00 0.00 +0.172 C ATOM 35 N LIG 1 -6.723 4.138 -0.147 0.00 0.00 -0.178 NA ATOM 36 C LIG 1 -6.080 2.964 -0.164 0.00 0.00 +0.157 A ENDBRANCH 29 31 ENDBRANCH 8 29 BRANCH 6 37 ATOM 37 C LIG 1 -4.806 -5.472 -0.177 0.00 0.00 +0.173 C BRANCH 37 38 ATOM 38 C LIG 1 -5.141 -6.035 1.136 0.00 0.00 +0.069 C ATOM 39 N LIG 1 -5.425 -6.494 2.164 0.00 0.00 -0.196 NA ENDBRANCH 37 38 ENDBRANCH 6 37 TORSDOF 8