REMARK Name = BDB022384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.018 -0.733 -0.626 0.00 0.00 +0.033 A ATOM 2 C LIG 1 1.247 -0.162 -0.815 0.00 0.00 +0.036 A ATOM 3 C LIG 1 1.951 0.412 0.258 0.00 0.00 +0.040 A ATOM 4 C LIG 1 3.295 1.025 0.082 0.00 0.00 +0.134 A ATOM 5 N LIG 1 3.879 1.636 1.061 0.00 0.00 -0.178 NA ATOM 6 C LIG 1 3.333 1.722 2.313 0.00 0.00 +0.350 A ATOM 7 N LIG 1 2.116 1.090 2.571 0.00 0.00 -0.295 N ATOM 8 C LIG 1 1.561 1.160 3.912 0.00 0.00 +0.154 C ATOM 9 O LIG 1 3.922 2.342 3.197 0.00 0.00 -0.244 OA ATOM 10 C LIG 1 1.403 0.442 1.536 0.00 0.00 +0.057 A ATOM 11 C LIG 1 0.158 -0.163 1.739 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -0.532 -0.754 0.672 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.667 -1.335 -1.723 0.00 0.00 -0.298 N ATOM 14 H LIG 1 -0.219 -1.136 -2.612 0.00 0.00 +0.154 HD BRANCH 13 17 ATOM 15 C LIG 1 -4.262 -1.437 -1.226 0.00 0.00 +0.220 A ATOM 16 N LIG 1 -2.961 -1.161 -1.036 0.00 0.00 -0.198 NA ATOM 17 C LIG 1 -2.047 -1.601 -1.927 0.00 0.00 +0.147 A ATOM 18 C LIG 1 -2.434 -2.345 -3.032 0.00 0.00 +0.099 A ATOM 19 CL LIG 1 -1.329 -2.927 -4.214 0.00 0.00 -0.078 Cl ATOM 20 C LIG 1 -3.779 -2.590 -3.154 0.00 0.00 +0.137 A ATOM 21 N LIG 1 -4.700 -2.150 -2.275 0.00 0.00 -0.221 NA BRANCH 15 28 ATOM 22 C LIG 1 -7.272 -2.010 1.747 0.00 0.00 +0.039 C ATOM 23 C LIG 1 -7.423 -0.891 0.718 0.00 0.00 +0.133 C ATOM 24 O LIG 1 -7.125 0.352 1.380 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 -5.982 1.042 0.851 0.00 0.00 +0.133 C ATOM 26 C LIG 1 -5.614 2.139 1.841 0.00 0.00 +0.039 C ATOM 27 C LIG 1 -4.786 0.098 0.602 0.00 0.00 +0.139 C ATOM 28 N LIG 1 -5.173 -0.992 -0.296 0.00 0.00 -0.295 N ATOM 29 C LIG 1 -6.598 -1.167 -0.561 0.00 0.00 +0.139 C ENDBRANCH 15 28 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 4 30 ATOM 30 N LIG 1 3.906 0.911 -1.162 0.00 0.00 -0.316 N ATOM 31 H LIG 1 3.811 -0.039 -1.515 0.00 0.00 +0.148 HD BRANCH 30 32 ATOM 32 C LIG 1 5.311 1.333 -1.426 0.00 0.00 +0.087 C ATOM 33 C LIG 1 5.516 2.825 -1.118 0.00 0.00 +0.039 C ATOM 34 C LIG 1 5.539 1.137 -2.942 0.00 0.00 +0.039 C BRANCH 32 35 ATOM 35 C LIG 1 6.312 0.415 -0.702 0.00 0.00 +0.152 A ATOM 36 N LIG 1 5.955 -0.886 -0.545 0.00 0.00 -0.238 NA ATOM 37 C LIG 1 6.848 -1.683 0.071 0.00 0.00 +0.114 A ATOM 38 C LIG 1 8.081 -1.254 0.500 0.00 0.00 +0.039 A ATOM 39 C LIG 1 8.368 0.066 0.255 0.00 0.00 +0.114 A ATOM 40 N LIG 1 7.519 0.912 -0.357 0.00 0.00 -0.238 NA ENDBRANCH 32 35 ENDBRANCH 30 32 ENDBRANCH 4 30 TORSDOF 6