REMARK Name = BDB006637 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.065 -0.356 0.280 0.00 0.00 -0.234 N ATOM 2 C LIG 1 2.082 0.170 1.145 0.00 0.00 +0.048 A ATOM 3 C LIG 1 2.331 0.844 2.443 0.00 0.00 +0.066 C ATOM 4 C LIG 1 0.882 -0.145 0.554 0.00 0.00 +0.031 A ATOM 5 C LIG 1 -0.583 -0.030 0.708 0.00 0.00 +0.146 C ATOM 6 N LIG 1 -1.087 -0.847 -0.442 0.00 0.00 -0.253 N ATOM 7 C LIG 1 -0.009 -1.382 -1.215 0.00 0.00 +0.272 C ATOM 8 O LIG 1 -0.033 -2.089 -2.208 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 1.188 -0.919 -0.546 0.00 0.00 +0.154 A ATOM 10 N LIG 1 2.489 -1.102 -0.715 0.00 0.00 -0.161 NA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.451 -1.079 -0.654 0.00 0.00 +0.054 A ATOM 12 C LIG 1 -3.402 -0.634 0.193 0.00 0.00 +0.112 A ATOM 13 N LIG 1 -4.755 -0.857 -0.005 0.00 0.00 -0.316 N ATOM 14 C LIG 1 -5.695 -0.325 0.971 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -5.247 -1.567 -1.096 0.00 0.00 +0.254 A ATOM 16 O LIG 1 -6.438 -1.789 -1.298 0.00 0.00 -0.267 OA ATOM 17 C LIG 1 -4.215 -2.065 -2.055 0.00 0.00 +0.016 A ATOM 18 C LIG 1 -4.713 -2.819 -3.247 0.00 0.00 +0.049 C ATOM 19 C LIG 1 -2.915 -1.818 -1.818 0.00 0.00 +0.033 A ENDBRANCH 6 11 BRANCH 1 22 ATOM 20 C LIG 1 4.962 -2.434 -0.822 0.00 0.00 +0.068 C ATOM 21 C LIG 1 5.371 -1.116 -0.228 0.00 0.00 +0.064 A ATOM 22 C LIG 1 4.479 -0.173 0.307 0.00 0.00 +0.087 A ATOM 23 C LIG 1 5.020 1.004 0.846 0.00 0.00 +0.031 A ATOM 24 C LIG 1 6.398 1.202 0.862 0.00 0.00 +0.022 A ATOM 25 C LIG 1 7.202 0.217 0.328 0.00 0.00 +0.111 A ATOM 26 N LIG 1 6.721 -0.921 -0.208 0.00 0.00 -0.258 NA ENDBRANCH 1 22 BRANCH 5 27 ATOM 27 C LIG 1 -0.881 1.457 0.630 0.00 0.00 -0.022 A ATOM 28 C LIG 1 -0.923 2.156 -0.592 0.00 0.00 +0.007 A ATOM 29 C LIG 1 -1.196 3.526 -0.623 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -1.426 4.214 0.565 0.00 0.00 +0.041 A ATOM 31 CL LIG 1 -1.760 5.901 0.527 0.00 0.00 -0.084 Cl ATOM 32 C LIG 1 -1.386 3.545 1.785 0.00 0.00 +0.020 A ATOM 33 C LIG 1 -1.114 2.175 1.818 0.00 0.00 +0.007 A ENDBRANCH 5 27 TORSDOF 3