REMARK Name = BDB055737 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.109 -0.735 -1.803 0.00 0.00 -0.306 N ATOM 2 H LIG 1 -0.582 -1.073 -2.602 0.00 0.00 +0.149 HD ATOM 3 C LIG 1 -2.046 0.203 -2.134 0.00 0.00 +0.228 C ATOM 4 O LIG 1 -2.056 0.624 -3.291 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 5 ATOM 5 C LIG 1 -0.930 -1.405 -0.527 0.00 0.00 +0.200 C BRANCH 5 10 ATOM 6 N LIG 1 4.202 -0.428 -0.345 0.00 0.00 -0.327 N ATOM 7 C LIG 1 3.019 0.388 -0.013 0.00 0.00 +0.124 C ATOM 8 C LIG 1 1.760 -0.180 -0.695 0.00 0.00 +0.126 C ATOM 9 N LIG 1 1.568 -1.617 -0.438 0.00 0.00 -0.297 N ATOM 10 C LIG 1 0.338 -2.262 -0.517 0.00 0.00 +0.233 C ATOM 11 O LIG 1 0.243 -3.490 -0.583 0.00 0.00 -0.274 OA ATOM 12 C LIG 1 2.771 -2.438 -0.633 0.00 0.00 +0.126 C ATOM 13 C LIG 1 4.027 -1.851 0.036 0.00 0.00 +0.124 C BRANCH 6 17 ATOM 14 C LIG 1 8.073 1.045 0.598 0.00 0.00 +0.120 A ATOM 15 C LIG 1 7.898 0.025 -0.331 0.00 0.00 +0.047 A ATOM 16 C LIG 1 6.610 -0.445 -0.624 0.00 0.00 +0.027 A ATOM 17 C LIG 1 5.465 0.082 -0.002 0.00 0.00 +0.030 A ATOM 18 C LIG 1 5.663 1.118 0.919 0.00 0.00 +0.027 A ATOM 19 C LIG 1 6.949 1.588 1.218 0.00 0.00 +0.047 A BRANCH 14 21 ATOM 20 C LIG 1 10.436 1.077 0.366 0.00 0.00 +0.277 C ATOM 21 O LIG 1 9.264 1.595 0.981 0.00 0.00 -0.495 OA ENDBRANCH 14 21 ENDBRANCH 6 17 ENDBRANCH 5 10 ENDBRANCH 1 5 BRANCH 3 22 ATOM 22 C LIG 1 -3.007 0.708 -1.043 0.00 0.00 +0.181 C BRANCH 22 23 ATOM 23 N LIG 1 -4.383 0.898 -1.554 0.00 0.00 -0.285 NA ATOM 24 C LIG 1 -5.327 1.457 -0.554 0.00 0.00 +0.105 C ATOM 25 C LIG 1 -4.853 2.759 0.132 0.00 0.00 +0.128 C ATOM 26 N LIG 1 -5.813 3.230 1.108 0.00 0.00 -0.310 N ATOM 27 H LIG 1 -5.798 4.199 1.402 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 -6.385 2.375 2.019 0.00 0.00 +0.244 C ATOM 29 C LIG 1 -6.291 0.915 1.728 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -6.749 0.005 2.686 0.00 0.00 +0.013 A ATOM 31 C LIG 1 -6.697 -1.365 2.429 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -6.198 -1.829 1.212 0.00 0.00 +0.004 A ATOM 33 C LIG 1 -5.746 -0.928 0.237 0.00 0.00 -0.041 A ATOM 34 C LIG 1 -5.195 -1.449 -1.068 0.00 0.00 +0.051 C ATOM 35 O LIG 1 -6.943 2.803 3.021 0.00 0.00 -0.270 OA ATOM 36 C LIG 1 -5.771 0.455 0.502 0.00 0.00 -0.013 A ATOM 37 C LIG 1 -4.970 -0.340 -2.107 0.00 0.00 +0.090 C ENDBRANCH 22 23 ENDBRANCH 3 22 TORSDOF 6