REMARK Name = BDB063452 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.121 -0.920 -0.173 0.00 0.00 +0.130 A ATOM 2 N LIG 1 -0.906 -1.158 0.366 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 0.180 -0.630 -0.224 0.00 0.00 +0.221 A ATOM 4 N LIG 1 0.126 0.120 -1.329 0.00 0.00 -0.223 NA ATOM 5 C LIG 1 -1.085 0.332 -1.864 0.00 0.00 +0.118 A ATOM 6 C LIG 1 -2.242 -0.168 -1.328 0.00 0.00 +0.064 A ENDROOT BRANCH 1 7 ATOM 7 N LIG 1 -3.290 -1.480 0.410 0.00 0.00 -0.288 N ATOM 8 C LIG 1 -3.013 -2.317 1.585 0.00 0.00 +0.137 C BRANCH 7 16 ATOM 9 C LIG 1 -8.822 2.314 1.149 0.00 0.00 +0.066 C ATOM 10 C LIG 1 -8.202 0.997 0.867 0.00 0.00 +0.044 A ATOM 11 N LIG 1 -8.935 -0.137 0.604 0.00 0.00 -0.270 N ATOM 12 C LIG 1 -10.376 -0.243 0.559 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -8.195 -1.239 0.365 0.00 0.00 -0.171 NA ATOM 14 C LIG 1 -6.922 -0.834 0.483 0.00 0.00 +0.095 A ATOM 15 C LIG 1 -5.731 -1.565 0.344 0.00 0.00 +0.053 A ATOM 16 C LIG 1 -4.546 -0.807 0.536 0.00 0.00 +0.037 A ATOM 17 C LIG 1 -4.585 0.598 0.855 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -5.768 1.357 0.999 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -6.897 0.572 0.798 0.00 0.00 +0.023 A ENDBRANCH 7 16 ENDBRANCH 1 7 BRANCH 3 20 ATOM 20 N LIG 1 1.385 -0.920 0.414 0.00 0.00 -0.284 N ATOM 21 H LIG 1 1.189 -1.503 1.214 0.00 0.00 +0.155 HD BRANCH 20 22 ATOM 22 C LIG 1 2.725 -0.644 0.130 0.00 0.00 +0.035 A ATOM 23 C LIG 1 3.707 -1.076 1.032 0.00 0.00 +0.044 A ATOM 24 C LIG 1 5.076 -0.825 0.822 0.00 0.00 +0.053 A ATOM 25 CL LIG 1 6.147 -1.439 2.039 0.00 0.00 -0.083 Cl ATOM 26 C LIG 1 5.511 -0.121 -0.312 0.00 0.00 +0.036 A ATOM 27 C LIG 1 4.520 0.314 -1.208 0.00 0.00 +0.015 A ATOM 28 C LIG 1 3.158 0.061 -0.990 0.00 0.00 +0.024 A BRANCH 26 29 ATOM 29 C LIG 1 6.910 0.202 -0.647 0.00 0.00 +0.141 A ATOM 30 N LIG 1 8.008 -0.091 0.132 0.00 0.00 -0.338 N ATOM 31 H LIG 1 7.972 -0.565 1.022 0.00 0.00 +0.167 HD ATOM 32 C LIG 1 9.141 0.354 -0.493 0.00 0.00 +0.066 A ATOM 33 C LIG 1 8.674 0.922 -1.669 0.00 0.00 +0.089 A ATOM 34 C LIG 1 9.589 1.486 -2.569 0.00 0.00 +0.030 A ATOM 35 C LIG 1 10.952 1.455 -2.247 0.00 0.00 +0.002 A ATOM 36 C LIG 1 11.393 0.875 -1.054 0.00 0.00 +0.002 A ATOM 37 C LIG 1 10.492 0.309 -0.144 0.00 0.00 +0.028 A ATOM 38 N LIG 1 7.308 0.824 -1.747 0.00 0.00 -0.228 NA ENDBRANCH 26 29 ENDBRANCH 20 22 ENDBRANCH 3 20 TORSDOF 5