REMARK Name = BDB024088 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.251 -1.067 -0.315 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.465 -0.601 -1.750 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -2.084 -1.467 -2.667 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -2.297 -1.073 -3.989 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.905 0.195 -4.411 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.309 1.074 -3.510 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.096 0.683 -2.187 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.021 -0.503 0.393 0.00 0.00 +0.239 C ATOM 9 N LIG 1 1.174 -0.635 -0.371 0.00 0.00 -0.284 N ATOM 10 H LIG 1 1.054 -1.015 -1.304 0.00 0.00 +0.155 HD ATOM 11 O LIG 1 -0.029 -0.059 1.540 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.487 -0.256 -0.029 0.00 0.00 +0.033 A ATOM 13 C LIG 1 2.849 0.300 1.197 0.00 0.00 +0.024 A ATOM 14 C LIG 1 4.182 0.652 1.454 0.00 0.00 +0.010 A ATOM 15 C LIG 1 5.178 0.452 0.491 0.00 0.00 -0.015 A ATOM 16 C LIG 1 4.811 -0.105 -0.738 0.00 0.00 +0.010 A ATOM 17 C LIG 1 3.480 -0.455 -0.995 0.00 0.00 +0.024 A BRANCH 15 18 ATOM 18 C LIG 1 6.553 0.828 0.772 0.00 0.00 +0.020 A ATOM 19 C LIG 1 7.673 0.237 0.222 0.00 0.00 +0.116 A ATOM 20 N LIG 1 8.752 0.875 0.764 0.00 0.00 -0.274 N ATOM 21 C LIG 1 10.144 0.605 0.500 0.00 0.00 +0.172 C ATOM 22 N LIG 1 8.419 1.847 1.631 0.00 0.00 -0.179 NA ATOM 23 C LIG 1 7.084 1.814 1.638 0.00 0.00 +0.142 A ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 24 ATOM 24 N LIG 1 -2.454 -0.936 0.547 0.00 0.00 -0.301 NA ATOM 25 H LIG 1 -2.141 -1.161 1.496 0.00 0.00 +0.123 HD BRANCH 24 26 ATOM 26 C LIG 1 -3.027 0.420 0.580 0.00 0.00 +0.089 C BRANCH 26 28 ATOM 27 C LIG 1 -3.842 0.174 3.013 0.00 0.00 +0.014 C ATOM 28 C LIG 1 -4.197 0.604 1.585 0.00 0.00 +0.030 C BRANCH 28 29 ATOM 29 C LIG 1 -5.500 -0.026 1.112 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -5.651 -1.417 0.997 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.856 -1.972 0.558 0.00 0.00 +0.020 A ATOM 32 C LIG 1 -7.923 -1.140 0.231 0.00 0.00 +0.041 A ATOM 33 CL LIG 1 -9.407 -1.823 -0.309 0.00 0.00 -0.084 Cl ATOM 34 C LIG 1 -7.795 0.242 0.339 0.00 0.00 +0.020 A ATOM 35 C LIG 1 -6.589 0.796 0.777 0.00 0.00 +0.005 A ENDBRANCH 28 29 ENDBRANCH 26 28 ENDBRANCH 24 26 ENDBRANCH 1 24 TORSDOF 8