REMARK Name = BDB014112 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.880 -0.026 -1.370 0.00 0.00 +0.110 A ATOM 2 C LIG 1 1.647 0.029 -0.710 0.00 0.00 +0.088 A ATOM 3 C LIG 1 0.598 -0.756 -0.135 0.00 0.00 +0.256 C ATOM 4 N LIG 1 -0.340 0.189 0.402 0.00 0.00 -0.253 N ATOM 5 C LIG 1 0.071 1.606 0.105 0.00 0.00 +0.161 C ATOM 6 O LIG 1 0.549 -1.975 -0.139 0.00 0.00 -0.269 OA ATOM 7 C LIG 1 1.345 1.346 -0.578 0.00 0.00 +0.077 A ATOM 8 N LIG 1 2.328 2.049 -1.168 0.00 0.00 -0.268 N ATOM 9 C LIG 1 2.446 3.476 -1.325 0.00 0.00 +0.172 C ATOM 10 N LIG 1 3.278 1.232 -1.687 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.463 -0.151 1.163 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -1.864 -1.424 1.365 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -2.989 -1.694 2.135 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -3.760 -0.719 2.736 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -4.754 -1.281 3.388 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -4.648 -2.642 3.225 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -3.373 0.647 2.564 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -4.145 1.781 3.189 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -3.590 -2.887 2.477 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -3.099 -4.216 2.056 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -2.273 0.896 1.812 0.00 0.00 +0.032 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.903 2.373 -0.775 0.00 0.00 -0.021 A ATOM 23 C LIG 1 -1.530 1.777 -1.883 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -2.405 2.511 -2.688 0.00 0.00 +0.020 A ATOM 25 C LIG 1 -2.658 3.849 -2.397 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 -3.732 4.754 -3.390 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 -2.041 4.460 -1.309 0.00 0.00 +0.020 A ATOM 28 C LIG 1 -1.165 3.728 -0.503 0.00 0.00 +0.007 A ENDBRANCH 5 22 BRANCH 1 30 ATOM 29 C LIG 1 3.943 -2.236 -0.854 0.00 0.00 +0.224 A ATOM 30 C LIG 1 3.676 -1.188 -1.739 0.00 0.00 +0.064 A ATOM 31 C LIG 1 4.223 -1.277 -3.024 0.00 0.00 +0.017 A ATOM 32 C LIG 1 4.976 -2.391 -3.386 0.00 0.00 +0.021 A ATOM 33 C LIG 1 5.163 -3.386 -2.442 0.00 0.00 +0.114 A ATOM 34 N LIG 1 4.669 -3.335 -1.188 0.00 0.00 -0.221 NA BRANCH 29 36 ATOM 35 C LIG 1 3.721 -3.279 1.236 0.00 0.00 +0.279 C ATOM 36 O LIG 1 3.494 -2.117 0.448 0.00 0.00 -0.479 OA ENDBRANCH 29 36 ENDBRANCH 1 30 TORSDOF 4