REMARK Name = BDB022064 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.717 2.723 -1.117 0.00 0.00 +0.078 C ATOM 2 C LIG 1 2.489 2.074 -2.487 0.00 0.00 +0.032 C ATOM 3 C LIG 1 1.673 0.784 -2.420 0.00 0.00 +0.109 C ATOM 4 N LIG 1 0.677 0.791 -1.348 0.00 0.00 -0.297 N ATOM 5 C LIG 1 0.018 -0.415 -1.087 0.00 0.00 +0.252 C ATOM 6 O LIG 1 0.412 -1.484 -1.542 0.00 0.00 -0.270 OA ATOM 7 C LIG 1 0.238 2.108 -0.888 0.00 0.00 +0.109 C ATOM 8 C LIG 1 1.411 2.909 -0.326 0.00 0.00 +0.032 C ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -1.131 -0.381 -0.211 0.00 0.00 +0.099 A ATOM 10 C LIG 1 -2.434 0.015 -0.477 0.00 0.00 +0.153 A ATOM 11 N LIG 1 -3.157 -0.204 0.690 0.00 0.00 -0.215 N ATOM 12 N LIG 1 -2.310 -0.430 1.736 0.00 0.00 -0.172 NA ATOM 13 C LIG 1 -1.130 -0.661 1.167 0.00 0.00 +0.150 A BRANCH 11 14 ATOM 14 C LIG 1 -4.559 -0.349 0.911 0.00 0.00 +0.068 A ATOM 15 C LIG 1 -5.436 -0.700 -0.124 0.00 0.00 +0.028 A ATOM 16 C LIG 1 -6.801 -0.851 0.133 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -7.297 -0.671 1.423 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -6.428 -0.354 2.465 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -5.062 -0.202 2.214 0.00 0.00 +0.028 A ENDBRANCH 11 14 BRANCH 10 20 ATOM 20 N LIG 1 -2.921 0.592 -1.650 0.00 0.00 -0.307 N ATOM 21 C LIG 1 -3.926 1.539 -1.748 0.00 0.00 +0.092 A ATOM 22 C LIG 1 -4.081 1.915 -3.063 0.00 0.00 +0.019 A ATOM 23 C LIG 1 -3.131 1.196 -3.813 0.00 0.00 +0.019 A ATOM 24 C LIG 1 -2.429 0.408 -2.929 0.00 0.00 +0.092 A ENDBRANCH 10 20 ENDBRANCH 5 9 BRANCH 1 27 ATOM 25 N LIG 1 3.384 0.744 0.164 0.00 0.00 -0.285 N ATOM 26 H LIG 1 2.446 0.449 -0.078 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 3.787 1.977 -0.308 0.00 0.00 +0.220 C ATOM 28 O LIG 1 4.894 2.484 -0.155 0.00 0.00 -0.275 OA BRANCH 25 31 ATOM 29 C LIG 1 4.157 -2.392 1.968 0.00 0.00 -0.046 A ATOM 30 C LIG 1 3.505 -1.408 1.209 0.00 0.00 +0.027 A ATOM 31 C LIG 1 4.123 -0.181 0.927 0.00 0.00 +0.034 A ATOM 32 C LIG 1 5.408 0.056 1.413 0.00 0.00 +0.023 A ATOM 33 C LIG 1 6.063 -0.914 2.176 0.00 0.00 +0.002 A ATOM 34 C LIG 1 5.441 -2.130 2.456 0.00 0.00 +0.004 A BRANCH 29 36 ATOM 35 C LIG 1 2.594 -3.601 3.512 0.00 0.00 +0.009 C ATOM 36 C LIG 1 3.472 -3.699 2.273 0.00 0.00 +0.032 C ENDBRANCH 29 36 ENDBRANCH 25 31 ENDBRANCH 1 27 TORSDOF 6