REMARK Name = BDB058486 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.450 -2.790 -0.488 0.00 0.00 -0.298 N ATOM 2 H LIG 1 -1.072 -3.054 -1.247 0.00 0.00 +0.154 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 -1.078 -1.983 0.486 0.00 0.00 +0.034 A ATOM 4 C LIG 1 -2.467 -1.775 0.395 0.00 0.00 +0.051 A ATOM 5 C LIG 1 -3.082 -1.010 1.367 0.00 0.00 +0.072 A ATOM 6 N LIG 1 -4.424 -0.624 1.512 0.00 0.00 -0.292 N ATOM 7 C LIG 1 -4.554 0.142 2.694 0.00 0.00 +0.330 A ATOM 8 N LIG 1 -3.257 0.249 3.237 0.00 0.00 -0.295 N ATOM 9 C LIG 1 -2.916 0.925 4.454 0.00 0.00 +0.154 C ATOM 10 O LIG 1 -5.583 0.611 3.153 0.00 0.00 -0.246 OA ATOM 11 C LIG 1 -2.363 -0.463 2.430 0.00 0.00 +0.070 A ATOM 12 C LIG 1 -1.010 -0.668 2.570 0.00 0.00 +0.030 A ATOM 13 C LIG 1 -0.375 -1.443 1.589 0.00 0.00 +0.025 A BRANCH 6 14 ATOM 14 C LIG 1 -5.525 -1.057 0.689 0.00 0.00 +0.130 C BRANCH 14 15 ATOM 15 C LIG 1 -6.254 0.067 -0.056 0.00 0.00 +0.056 C BRANCH 15 16 ATOM 16 C LIG 1 -5.521 0.685 -1.263 0.00 0.00 +0.062 C ATOM 17 C LIG 1 -6.518 1.513 -2.086 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -4.345 1.577 -0.861 0.00 0.00 +0.041 C BRANCH 16 19 ATOM 19 O LIG 1 -5.034 -0.368 -2.101 0.00 0.00 -0.389 OA ATOM 20 H LIG 1 -4.601 0.045 -2.869 0.00 0.00 +0.210 HD ENDBRANCH 16 19 ENDBRANCH 15 16 ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 1 3 BRANCH 1 23 ATOM 21 C LIG 1 3.019 -1.809 -0.933 0.00 0.00 +0.220 A ATOM 22 N LIG 1 1.741 -1.812 -0.514 0.00 0.00 -0.198 NA ATOM 23 C LIG 1 0.895 -2.773 -0.942 0.00 0.00 +0.147 A ATOM 24 C LIG 1 1.330 -3.772 -1.800 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 0.308 -5.018 -2.398 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 2.648 -3.709 -2.177 0.00 0.00 +0.137 A ATOM 27 N LIG 1 3.498 -2.750 -1.763 0.00 0.00 -0.221 NA BRANCH 21 35 ATOM 28 C LIG 1 7.198 0.638 -1.645 0.00 0.00 +0.026 C ATOM 29 C LIG 1 6.030 0.432 -0.665 0.00 0.00 +0.071 C ATOM 30 N LIG 1 5.363 1.720 -0.294 0.00 0.00 -0.297 NA ATOM 31 C LIG 1 6.304 2.635 0.361 0.00 0.00 +0.105 C ATOM 32 C LIG 1 4.192 1.425 0.590 0.00 0.00 +0.071 C ATOM 33 C LIG 1 3.395 2.689 0.951 0.00 0.00 +0.026 C ATOM 34 C LIG 1 3.196 0.413 -0.051 0.00 0.00 +0.126 C ATOM 35 N LIG 1 3.882 -0.819 -0.458 0.00 0.00 -0.297 N ATOM 36 C LIG 1 5.049 -0.587 -1.316 0.00 0.00 +0.126 C ENDBRANCH 21 35 ENDBRANCH 1 23 TORSDOF 7