REMARK Name = BDB048937 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.578 0.017 0.031 0.00 0.00 +0.129 A ATOM 2 C LIG 1 0.270 -1.092 -0.005 0.00 0.00 +0.051 A ATOM 3 C LIG 1 1.183 -1.318 1.034 0.00 0.00 -0.027 A ATOM 4 C LIG 1 1.249 -0.400 2.092 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.417 0.721 2.114 0.00 0.00 +0.004 A ATOM 6 C LIG 1 -0.494 0.935 1.079 0.00 0.00 +0.046 A ENDROOT BRANCH 1 7 ATOM 7 O LIG 1 -1.426 0.185 -1.041 0.00 0.00 -0.456 OA BRANCH 7 13 ATOM 8 C LIG 1 -5.631 -0.511 1.454 0.00 0.00 +0.044 C ATOM 9 C LIG 1 -4.846 0.220 0.399 0.00 0.00 -0.044 A ATOM 10 C LIG 1 -5.407 1.270 -0.359 0.00 0.00 -0.044 A ATOM 11 C LIG 1 -4.620 1.913 -1.331 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -3.292 1.540 -1.539 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -2.731 0.528 -0.768 0.00 0.00 +0.129 A ATOM 14 C LIG 1 -3.505 -0.141 0.182 0.00 0.00 +0.050 A BRANCH 10 15 ATOM 15 C LIG 1 -6.846 1.710 -0.194 0.00 0.00 +0.046 C BRANCH 15 16 ATOM 16 C LIG 1 -7.773 0.978 -1.161 0.00 0.00 +0.125 C BRANCH 16 17 ATOM 17 C LIG 1 -9.198 1.414 -0.975 0.00 0.00 +0.305 C ATOM 18 O LIG 1 -9.624 2.245 -0.193 0.00 0.00 -0.251 OA BRANCH 17 19 ATOM 19 O LIG 1 -10.035 0.766 -1.809 0.00 0.00 -0.481 OA ATOM 20 H LIG 1 -10.919 1.133 -1.596 0.00 0.00 +0.295 HD ENDBRANCH 17 19 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 7 13 ENDBRANCH 1 7 BRANCH 3 21 ATOM 21 C LIG 1 2.115 -2.502 0.995 0.00 0.00 +0.140 C BRANCH 21 22 ATOM 22 N LIG 1 3.408 -2.119 0.472 0.00 0.00 -0.306 N ATOM 23 H LIG 1 3.404 -1.683 -0.436 0.00 0.00 +0.149 HD ATOM 24 C LIG 1 4.460 -1.840 1.319 0.00 0.00 +0.261 C ATOM 25 O LIG 1 4.388 -1.996 2.533 0.00 0.00 -0.269 OA BRANCH 24 26 ATOM 26 C LIG 1 5.644 -1.327 0.662 0.00 0.00 +0.103 A ATOM 27 N LIG 1 5.960 -1.466 -0.671 0.00 0.00 -0.351 N ATOM 28 H LIG 1 5.407 -1.975 -1.344 0.00 0.00 +0.166 HD ATOM 29 C LIG 1 7.162 -0.861 -0.961 0.00 0.00 +0.047 A ATOM 30 C LIG 1 7.652 -0.335 0.233 0.00 0.00 +0.002 A ATOM 31 C LIG 1 8.888 0.339 0.225 0.00 0.00 +0.030 A ATOM 32 C LIG 1 9.582 0.459 -0.983 0.00 0.00 +0.042 A ATOM 33 C LIG 1 9.074 -0.077 -2.164 0.00 0.00 +0.022 A ATOM 34 CL LIG 1 11.095 1.283 -1.009 0.00 0.00 -0.084 Cl ATOM 35 C LIG 1 7.849 -0.752 -2.176 0.00 0.00 +0.027 A ATOM 36 C LIG 1 6.702 -0.645 1.242 0.00 0.00 +0.041 A ENDBRANCH 24 26 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 9