REMARK Name = BDB041893 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.246 0.066 -0.334 0.00 0.00 +0.083 C ATOM 2 C LIG 1 -1.684 -0.397 -0.006 0.00 0.00 +0.172 C ATOM 3 C LIG 1 -2.727 0.335 -0.900 0.00 0.00 +0.242 C ATOM 4 O LIG 1 -3.699 -0.270 -1.367 0.00 0.00 -0.273 OA ATOM 5 N LIG 1 -2.575 1.732 -1.054 0.00 0.00 -0.254 N ATOM 6 C LIG 1 -1.355 2.291 -0.647 0.00 0.00 +0.135 A ATOM 7 N LIG 1 -0.985 3.627 -0.495 0.00 0.00 -0.218 N ATOM 8 N LIG 1 0.375 3.742 -0.512 0.00 0.00 -0.173 NA ATOM 9 C LIG 1 0.818 2.495 -0.344 0.00 0.00 +0.141 A ATOM 10 C LIG 1 -0.222 1.554 -0.371 0.00 0.00 +0.022 A ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 2.787 -1.697 1.192 0.00 0.00 -0.030 A ATOM 12 C LIG 1 1.824 -1.235 0.282 0.00 0.00 +0.009 A ATOM 13 C LIG 1 0.783 -0.381 0.691 0.00 0.00 -0.037 A ATOM 14 C LIG 1 0.722 -0.002 2.043 0.00 0.00 +0.004 A ATOM 15 C LIG 1 1.683 -0.446 2.951 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.712 -1.284 2.528 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 3.909 -2.594 0.737 0.00 0.00 +0.139 C BRANCH 17 19 ATOM 18 C LIG 1 6.121 -1.704 1.364 0.00 0.00 +0.213 C ATOM 19 N LIG 1 5.097 -1.823 0.451 0.00 0.00 -0.311 N ATOM 20 H LIG 1 5.050 -1.166 -0.316 0.00 0.00 +0.149 HD ATOM 21 O LIG 1 6.159 -2.313 2.427 0.00 0.00 -0.276 OA BRANCH 18 23 ATOM 22 C LIG 1 8.330 -0.618 1.914 0.00 0.00 +0.013 C ATOM 23 C LIG 1 7.200 -0.741 0.907 0.00 0.00 +0.092 C ENDBRANCH 18 23 ENDBRANCH 17 19 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 7 24 ATOM 24 C LIG 1 -1.773 4.769 -0.177 0.00 0.00 +0.067 A ATOM 25 C LIG 1 -3.038 4.637 0.412 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -3.778 5.774 0.744 0.00 0.00 +0.002 A ATOM 27 C LIG 1 -3.254 7.045 0.506 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -1.985 7.183 -0.051 0.00 0.00 +0.002 A ATOM 29 C LIG 1 -1.240 6.050 -0.384 0.00 0.00 +0.028 A ENDBRANCH 7 24 BRANCH 2 30 ATOM 30 N LIG 1 -1.904 -1.844 -0.030 0.00 0.00 -0.298 N ATOM 31 H LIG 1 -2.658 -2.225 0.536 0.00 0.00 +0.150 HD ATOM 32 C LIG 1 -1.565 -2.652 -1.092 0.00 0.00 +0.265 C ATOM 33 O LIG 1 -0.845 -2.304 -2.021 0.00 0.00 -0.268 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.163 -3.996 -1.009 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -2.964 -4.360 0.016 0.00 0.00 -0.160 NA ATOM 36 N LIG 1 -3.319 -5.645 -0.272 0.00 0.00 -0.178 N ATOM 37 C LIG 1 -2.752 -6.096 -1.439 0.00 0.00 +0.118 A ATOM 38 C LIG 1 -2.007 -5.056 -1.937 0.00 0.00 +0.054 A BRANCH 36 39 ATOM 39 C LIG 1 -4.198 -6.421 0.617 0.00 0.00 +0.506 C ATOM 40 F LIG 1 -5.329 -5.741 0.944 0.00 0.00 -0.149 F ATOM 41 F LIG 1 -3.573 -6.754 1.777 0.00 0.00 -0.149 F ATOM 42 F LIG 1 -4.597 -7.588 0.040 0.00 0.00 -0.149 F ENDBRANCH 36 39 ENDBRANCH 32 34 ENDBRANCH 2 30 BRANCH 5 43 ATOM 43 C LIG 1 -3.503 2.397 -1.976 0.00 0.00 +0.112 C ATOM 44 C LIG 1 -3.124 2.163 -3.433 0.00 0.00 +0.025 C ENDBRANCH 5 43 TORSDOF 9