REMARK Name = BDB005278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.004 0.750 0.573 0.00 0.00 +0.142 A ATOM 2 N LIG 1 1.162 0.453 -0.508 0.00 0.00 -0.322 N ATOM 3 C LIG 1 -0.097 0.459 0.004 0.00 0.00 +0.077 A ATOM 4 C LIG 1 -1.503 0.275 -0.414 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.191 0.594 0.876 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.288 0.933 1.916 0.00 0.00 +0.272 C ATOM 7 O LIG 1 -1.532 1.252 3.069 0.00 0.00 -0.268 OA ATOM 8 C LIG 1 0.017 0.818 1.312 0.00 0.00 +0.150 A ATOM 9 N LIG 1 1.307 0.994 1.677 0.00 0.00 -0.223 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.567 0.947 0.891 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.031 2.222 1.285 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -3.128 3.366 1.666 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -5.418 2.471 1.310 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.332 1.497 0.915 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.869 0.257 0.500 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.988 -0.954 0.008 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.502 -0.019 0.488 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -1.832 -1.089 -1.006 0.00 0.00 -0.018 A ATOM 19 C LIG 1 -1.606 -2.335 -0.368 0.00 0.00 -0.044 A ATOM 20 C LIG 1 -1.004 -2.471 1.005 0.00 0.00 +0.044 C ATOM 21 C LIG 1 -1.954 -3.525 -1.040 0.00 0.00 +0.023 A ATOM 22 C LIG 1 -2.530 -3.495 -2.308 0.00 0.00 +0.041 A ATOM 23 CL LIG 1 -2.942 -4.965 -3.099 0.00 0.00 -0.084 Cl ATOM 24 C LIG 1 -2.773 -2.282 -2.934 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.429 -1.094 -2.289 0.00 0.00 +0.007 A ENDBRANCH 4 18 BRANCH 1 27 ATOM 26 C LIG 1 4.266 -0.314 0.819 0.00 0.00 -0.037 A ATOM 27 C LIG 1 3.465 0.802 0.505 0.00 0.00 +0.022 A ATOM 28 C LIG 1 4.071 2.015 0.136 0.00 0.00 +0.030 A ATOM 29 C LIG 1 5.462 2.120 0.054 0.00 0.00 +0.052 A ATOM 30 C LIG 1 6.257 1.012 0.349 0.00 0.00 +0.019 A ATOM 31 C LIG 1 5.665 -0.193 0.735 0.00 0.00 +0.005 A BRANCH 26 33 ATOM 32 C LIG 1 3.562 -1.676 2.814 0.00 0.00 +0.009 C ATOM 33 C LIG 1 3.683 -1.626 1.298 0.00 0.00 +0.032 C ENDBRANCH 26 33 BRANCH 29 34 ATOM 34 C LIG 1 6.067 3.359 -0.336 0.00 0.00 +0.099 C ATOM 35 N LIG 1 6.555 4.359 -0.667 0.00 0.00 -0.191 NA ENDBRANCH 29 34 ENDBRANCH 1 27 BRANCH 2 36 ATOM 36 C LIG 1 1.594 0.237 -1.885 0.00 0.00 +0.083 C ATOM 37 C LIG 1 0.821 1.088 -2.892 0.00 0.00 +0.030 C ATOM 38 C LIG 1 1.594 -1.240 -2.272 0.00 0.00 +0.030 C ENDBRANCH 2 36 TORSDOF 6