REMARK Name = BDB010671 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.375 0.047 0.211 0.00 0.00 -0.308 N ATOM 2 C LIG 1 -0.418 1.410 0.032 0.00 0.00 +0.116 A ATOM 3 C LIG 1 -1.185 1.858 1.096 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.439 3.151 1.354 0.00 0.00 -0.202 NA ATOM 5 C LIG 1 -0.900 3.978 0.449 0.00 0.00 +0.220 A ATOM 6 N LIG 1 -0.186 3.640 -0.647 0.00 0.00 -0.221 NA ATOM 7 N LIG 1 -1.684 0.823 1.826 0.00 0.00 -0.194 NA ATOM 8 C LIG 1 0.085 2.335 -0.872 0.00 0.00 +0.106 A ATOM 9 C LIG 1 -1.289 -0.263 1.202 0.00 0.00 +0.201 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -1.138 5.423 0.648 0.00 0.00 +0.287 A ATOM 11 O LIG 1 -1.852 5.761 1.754 0.00 0.00 -0.385 OA ATOM 12 C LIG 1 -1.924 7.116 1.698 0.00 0.00 +0.436 A ATOM 13 O LIG 1 -2.482 7.838 2.504 0.00 0.00 -0.221 OA ATOM 14 N LIG 1 -1.253 7.492 0.568 0.00 0.00 -0.208 N ATOM 15 H LIG 1 -1.127 8.442 0.249 0.00 0.00 +0.195 HD ATOM 16 N LIG 1 -0.754 6.418 -0.099 0.00 0.00 -0.127 NA ENDBRANCH 5 10 BRANCH 8 17 ATOM 17 C LIG 1 0.753 2.006 -2.116 0.00 0.00 +0.065 A ATOM 18 C LIG 1 2.124 2.155 -2.301 0.00 0.00 +0.222 A ATOM 19 N LIG 1 2.801 1.859 -3.428 0.00 0.00 -0.219 NA ATOM 20 C LIG 1 2.056 1.395 -4.460 0.00 0.00 +0.134 A ATOM 21 C LIG 1 0.683 1.210 -4.398 0.00 0.00 +0.060 A ATOM 22 CL LIG 1 -0.189 0.597 -5.743 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 0.025 1.522 -3.213 0.00 0.00 +0.037 A BRANCH 18 24 ATOM 24 O LIG 1 2.935 2.589 -1.304 0.00 0.00 -0.492 OA ATOM 25 H LIG 1 3.787 2.628 -1.775 0.00 0.00 +0.294 HD ENDBRANCH 18 24 ENDBRANCH 8 17 BRANCH 9 26 ATOM 26 N LIG 1 -1.650 -1.543 1.486 0.00 0.00 -0.289 N ATOM 27 C LIG 1 -2.506 -2.325 0.529 0.00 0.00 +0.132 C ATOM 28 C LIG 1 -3.712 -2.975 1.260 0.00 0.00 +0.187 C ATOM 29 O LIG 1 -3.322 -3.824 2.352 0.00 0.00 -0.376 OA ATOM 30 C LIG 1 -2.247 -3.280 3.131 0.00 0.00 +0.179 C ATOM 31 C LIG 1 -2.000 -1.783 2.904 0.00 0.00 +0.136 C BRANCH 27 32 ATOM 32 C LIG 1 -2.993 -1.567 -0.704 0.00 0.00 -0.025 A ATOM 33 C LIG 1 -3.833 -0.445 -0.598 0.00 0.00 +0.005 A ATOM 34 C LIG 1 -4.260 0.240 -1.737 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -3.865 -0.193 -3.000 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -3.045 -1.312 -3.127 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -2.615 -1.996 -1.988 0.00 0.00 +0.005 A ENDBRANCH 27 32 ENDBRANCH 9 26 BRANCH 1 38 ATOM 38 C LIG 1 0.533 -0.902 -0.407 0.00 0.00 +0.128 C BRANCH 38 43 ATOM 39 C LIG 1 5.591 -2.530 2.064 0.00 0.00 +0.007 C ATOM 40 C LIG 1 4.499 -1.991 1.143 0.00 0.00 -0.014 C ATOM 41 C LIG 1 3.756 -0.825 1.807 0.00 0.00 +0.003 C ATOM 42 C LIG 1 2.626 -0.299 0.924 0.00 0.00 +0.005 C ATOM 43 C LIG 1 1.640 -1.413 0.536 0.00 0.00 +0.009 C ATOM 44 C LIG 1 2.390 -2.578 -0.129 0.00 0.00 +0.005 C ATOM 45 C LIG 1 3.521 -3.105 0.752 0.00 0.00 +0.003 C ENDBRANCH 38 43 ENDBRANCH 1 38 TORSDOF 7