REMARK Name = BDB058543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.920 -0.908 -1.134 0.00 0.00 -0.312 N ATOM 2 H LIG 1 0.970 -1.737 -0.542 0.00 0.00 +0.149 HD ENDROOT BRANCH 1 3 ATOM 3 C LIG 1 2.083 -0.205 -0.909 0.00 0.00 +0.199 A ATOM 4 N LIG 1 2.471 0.812 -1.790 0.00 0.00 -0.282 N ATOM 5 C LIG 1 1.750 1.076 -3.022 0.00 0.00 +0.155 C ATOM 6 C LIG 1 3.606 1.594 -1.559 0.00 0.00 +0.279 A ATOM 7 O LIG 1 3.971 2.528 -2.267 0.00 0.00 -0.265 OA ATOM 8 C LIG 1 4.311 1.184 -0.395 0.00 0.00 +0.130 A ATOM 9 C LIG 1 3.908 0.152 0.395 0.00 0.00 +0.097 A ATOM 10 C LIG 1 4.818 -0.002 1.450 0.00 0.00 +0.047 A ATOM 11 C LIG 1 5.786 0.970 1.268 0.00 0.00 +0.085 A ATOM 12 N LIG 1 5.465 1.690 0.138 0.00 0.00 -0.355 N ATOM 13 H LIG 1 5.990 2.465 -0.249 0.00 0.00 +0.166 HD ATOM 14 N LIG 1 2.757 -0.583 0.151 0.00 0.00 -0.214 NA ENDBRANCH 1 3 BRANCH 1 19 ATOM 15 C LIG 1 -4.237 0.901 -0.222 0.00 0.00 +0.105 C ATOM 16 N LIG 1 -2.890 0.357 -0.329 0.00 0.00 -0.299 NA ATOM 17 C LIG 1 -2.070 0.486 0.880 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -0.633 -0.029 0.592 0.00 0.00 +0.041 C ATOM 19 C LIG 1 -0.384 -0.260 -0.910 0.00 0.00 +0.076 C ATOM 20 C LIG 1 -1.488 -1.121 -1.565 0.00 0.00 +0.041 C ATOM 21 C LIG 1 -2.694 -0.268 2.069 0.00 0.00 +0.019 C ATOM 22 C LIG 1 -3.356 -1.592 1.665 0.00 0.00 +0.003 C ATOM 23 C LIG 1 -2.902 -2.108 0.301 0.00 0.00 +0.019 C ATOM 24 C LIG 1 -2.831 -1.025 -0.810 0.00 0.00 +0.058 C ENDBRANCH 1 19 TORSDOF 2