REMARK Name = BDB031476 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.835 -0.691 -0.119 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.212 0.213 -1.214 0.00 0.00 -0.256 N ATOM 3 C LIG 1 -1.189 1.053 -1.592 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -1.224 1.986 -2.371 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 0.013 0.607 -0.888 0.00 0.00 +0.045 A ATOM 6 C LIG 1 1.310 1.069 -1.026 0.00 0.00 +0.020 A ATOM 7 C LIG 1 2.333 0.448 -0.282 0.00 0.00 -0.014 A ATOM 8 C LIG 1 1.986 -0.645 0.547 0.00 0.00 +0.007 A ATOM 9 C LIG 1 0.661 -1.094 0.666 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -0.335 -0.447 -0.051 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -2.248 -2.131 -0.457 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.480 -2.936 -1.323 0.00 0.00 +0.010 A ATOM 13 C LIG 1 -1.882 -4.236 -1.647 0.00 0.00 +0.020 A ATOM 14 C LIG 1 -3.067 -4.746 -1.127 0.00 0.00 +0.041 A ATOM 15 CL LIG 1 -3.560 -6.344 -1.528 0.00 0.00 -0.084 Cl ATOM 16 C LIG 1 -3.861 -3.965 -0.294 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -3.458 -2.666 0.030 0.00 0.00 +0.010 A ENDBRANCH 1 11 BRANCH 1 19 ATOM 18 C LIG 1 -2.067 -0.677 2.305 0.00 0.00 +0.197 C ATOM 19 O LIG 1 -2.477 -0.169 1.047 0.00 0.00 -0.351 OA ENDBRANCH 1 19 BRANCH 7 20 ATOM 20 C LIG 1 3.777 0.938 -0.434 0.00 0.00 +0.104 C ATOM 21 C LIG 1 4.364 0.410 -1.750 0.00 0.00 +0.048 C BRANCH 20 22 ATOM 22 O LIG 1 3.775 2.380 -0.513 0.00 0.00 -0.383 OA ATOM 23 H LIG 1 3.117 2.701 0.129 0.00 0.00 +0.211 HD ENDBRANCH 20 22 BRANCH 20 24 ATOM 24 C LIG 1 4.702 0.571 0.757 0.00 0.00 +0.143 C BRANCH 24 25 ATOM 25 N LIG 1 5.984 1.258 0.701 0.00 0.00 -0.312 N ATOM 26 H LIG 1 5.980 2.176 0.267 0.00 0.00 +0.149 HD ATOM 27 C LIG 1 7.002 0.927 1.561 0.00 0.00 +0.210 C ATOM 28 O LIG 1 6.941 -0.012 2.349 0.00 0.00 -0.276 OA ATOM 29 C LIG 1 8.207 1.823 1.469 0.00 0.00 +0.109 C ENDBRANCH 24 25 ENDBRANCH 20 24 ENDBRANCH 7 20 BRANCH 2 30 ATOM 30 C LIG 1 -3.580 0.388 -1.680 0.00 0.00 +0.166 C BRANCH 30 31 ATOM 31 C LIG 1 -4.481 1.127 -0.715 0.00 0.00 +0.059 A ATOM 32 N LIG 1 -5.501 0.427 -0.150 0.00 0.00 -0.257 NA ATOM 33 C LIG 1 -6.294 1.091 0.727 0.00 0.00 +0.131 A ATOM 34 C LIG 1 -6.125 2.423 1.067 0.00 0.00 +0.059 A ATOM 35 CL LIG 1 -7.173 3.187 2.191 0.00 0.00 -0.082 Cl ATOM 36 C LIG 1 -5.085 3.128 0.477 0.00 0.00 +0.023 A ATOM 37 C LIG 1 -4.250 2.474 -0.428 0.00 0.00 +0.026 A ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8