REMARK Name = BDB012579 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.602 -0.158 0.226 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.129 0.910 1.175 0.00 0.00 +0.159 C ATOM 3 C LIG 1 1.334 0.748 1.023 0.00 0.00 +0.056 A ATOM 4 C LIG 1 1.682 -0.214 0.123 0.00 0.00 +0.064 A ATOM 5 C LIG 1 3.075 -0.258 0.075 0.00 0.00 -0.012 A ATOM 6 C LIG 1 3.540 0.716 0.945 0.00 0.00 +0.090 A ATOM 7 N LIG 1 2.448 1.323 1.537 0.00 0.00 -0.351 N ATOM 8 C LIG 1 2.508 2.388 2.509 0.00 0.00 +0.148 C ATOM 9 C LIG 1 0.494 -0.809 -0.422 0.00 0.00 +0.254 C ATOM 10 O LIG 1 0.493 -1.701 -1.255 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -5.303 0.455 1.736 0.00 0.00 +0.047 C ATOM 12 C LIG 1 -4.308 -0.190 0.805 0.00 0.00 -0.004 A ATOM 13 C LIG 1 -4.707 -1.105 -0.218 0.00 0.00 +0.164 A ATOM 14 N LIG 1 -3.726 -1.660 -1.015 0.00 0.00 -0.285 N ATOM 15 C LIG 1 -4.399 -2.491 -1.885 0.00 0.00 +0.135 A ATOM 16 N LIG 1 -5.691 -2.436 -1.629 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -3.744 -3.306 -2.932 0.00 0.00 +0.088 C ATOM 18 C LIG 1 -2.372 -1.370 -0.888 0.00 0.00 +0.118 A ATOM 19 C LIG 1 -1.945 -0.503 0.054 0.00 0.00 +0.055 A ATOM 20 N LIG 1 -5.884 -1.565 -0.582 0.00 0.00 -0.129 NA ATOM 21 C LIG 1 -2.984 0.080 0.921 0.00 0.00 +0.032 A ENDBRANCH 1 19 BRANCH 2 22 ATOM 22 C LIG 1 -0.590 2.314 0.816 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -1.022 3.185 1.831 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -1.437 4.484 1.528 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -1.418 4.928 0.208 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -1.926 6.528 -0.163 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -0.985 4.084 -0.812 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -0.570 2.785 -0.509 0.00 0.00 +0.007 A ENDBRANCH 2 22 BRANCH 5 29 ATOM 29 C LIG 1 3.926 -1.188 -0.827 0.00 0.00 +0.049 C ATOM 30 C LIG 1 5.311 -1.607 -0.285 0.00 0.00 +0.093 C ATOM 31 N LIG 1 5.040 -3.010 -0.677 0.00 0.00 -0.304 NA ATOM 32 C LIG 1 5.577 -3.292 -2.008 0.00 0.00 +0.104 C ATOM 33 C LIG 1 3.592 -2.696 -0.754 0.00 0.00 +0.093 C ENDBRANCH 5 29 TORSDOF 3