REMARK Name = BDB009609 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.807 -0.551 0.027 0.00 0.00 +0.059 C ATOM 2 C LIG 1 -0.174 -1.090 1.084 0.00 0.00 +0.223 C ATOM 3 O LIG 1 0.234 -1.798 2.006 0.00 0.00 -0.275 OA ATOM 4 N LIG 1 -1.534 -0.823 0.895 0.00 0.00 -0.293 N ATOM 5 C LIG 1 -1.989 0.451 0.294 0.00 0.00 +0.114 C ATOM 6 C LIG 1 -1.008 1.084 -0.730 0.00 0.00 +0.045 C ATOM 7 C LIG 1 0.443 0.918 -0.266 0.00 0.00 +0.027 C ENDROOT BRANCH 5 8 ATOM 8 C LIG 1 -3.372 0.319 -0.353 0.00 0.00 -0.026 A ATOM 9 C LIG 1 -4.399 1.212 -0.004 0.00 0.00 +0.007 A ATOM 10 C LIG 1 -5.657 1.118 -0.606 0.00 0.00 +0.020 A ATOM 11 C LIG 1 -5.896 0.134 -1.561 0.00 0.00 +0.041 A ATOM 12 CL LIG 1 -7.445 0.019 -2.300 0.00 0.00 -0.084 Cl ATOM 13 C LIG 1 -4.889 -0.758 -1.922 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.631 -0.663 -1.323 0.00 0.00 +0.007 A ENDBRANCH 5 8 BRANCH 6 15 ATOM 15 C LIG 1 -1.321 2.553 -1.014 0.00 0.00 -0.041 A ATOM 16 C LIG 1 -1.793 2.926 -2.284 0.00 0.00 +0.024 A ATOM 17 C LIG 1 -2.105 4.258 -2.561 0.00 0.00 +0.041 A ATOM 18 CL LIG 1 -2.685 4.691 -4.122 0.00 0.00 -0.084 Cl ATOM 19 C LIG 1 -1.953 5.237 -1.584 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -1.488 4.881 -0.319 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -1.176 3.549 -0.035 0.00 0.00 +0.004 A ENDBRANCH 6 15 BRANCH 1 22 ATOM 22 C LIG 1 0.672 -1.424 -1.242 0.00 0.00 +0.136 C BRANCH 22 24 ATOM 23 O LIG 1 2.254 -3.270 -1.216 0.00 0.00 -0.251 OA ATOM 24 C LIG 1 1.123 -2.848 -1.052 0.00 0.00 +0.306 C BRANCH 24 25 ATOM 25 O LIG 1 0.123 -3.662 -0.675 0.00 0.00 -0.481 OA ATOM 26 H LIG 1 0.562 -4.521 -0.499 0.00 0.00 +0.295 HD ENDBRANCH 24 25 ENDBRANCH 22 24 ENDBRANCH 1 22 BRANCH 4 27 ATOM 27 C LIG 1 -2.435 -1.439 1.881 0.00 0.00 +0.112 C BRANCH 27 28 ATOM 28 C LIG 1 -2.785 -2.841 1.475 0.00 0.00 +0.006 C ATOM 29 C LIG 1 -3.474 -3.752 2.461 0.00 0.00 +0.005 C ATOM 30 C LIG 1 -2.056 -4.030 2.048 0.00 0.00 +0.005 C ENDBRANCH 27 28 ENDBRANCH 4 27 BRANCH 1 31 ATOM 31 C LIG 1 2.252 -0.597 0.630 0.00 0.00 +0.032 C BRANCH 31 32 ATOM 32 C LIG 1 3.376 -0.073 -0.281 0.00 0.00 +0.085 C BRANCH 32 33 ATOM 33 N LIG 1 4.711 -0.256 0.311 0.00 0.00 -0.298 NA ATOM 34 C LIG 1 5.760 -0.013 -0.705 0.00 0.00 +0.112 C ATOM 35 C LIG 1 7.169 -0.152 -0.110 0.00 0.00 +0.175 C ATOM 36 O LIG 1 7.357 0.754 0.985 0.00 0.00 -0.377 OA ATOM 37 C LIG 1 6.385 0.488 2.004 0.00 0.00 +0.175 C ATOM 38 C LIG 1 4.953 0.638 1.464 0.00 0.00 +0.112 C ENDBRANCH 32 33 ENDBRANCH 31 32 ENDBRANCH 1 31 TORSDOF 10