REMARK Name = BDB061366 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.464 -0.711 -0.394 0.00 0.00 +0.128 A ATOM 2 N LIG 1 -1.492 -1.454 -0.949 0.00 0.00 -0.199 NA ATOM 3 C LIG 1 -0.305 -0.886 -1.173 0.00 0.00 +0.219 A ATOM 4 N LIG 1 -0.011 0.378 -0.874 0.00 0.00 -0.199 NA ATOM 5 C LIG 1 -0.971 1.122 -0.301 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -2.218 0.601 -0.038 0.00 0.00 +0.087 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 -6.382 -2.512 -0.139 0.00 0.00 -0.300 NA ATOM 8 C LIG 1 -6.095 -1.293 -0.912 0.00 0.00 +0.103 C ATOM 9 C LIG 1 -4.912 -0.478 -0.337 0.00 0.00 +0.122 C ATOM 10 N LIG 1 -3.705 -1.301 -0.150 0.00 0.00 -0.313 N ATOM 11 C LIG 1 -3.835 -2.722 -0.488 0.00 0.00 +0.122 C ATOM 12 C LIG 1 -5.154 -3.312 0.076 0.00 0.00 +0.103 C BRANCH 7 14 ATOM 13 C LIG 1 -8.026 -4.333 0.231 0.00 0.00 +0.020 C ATOM 14 C LIG 1 -7.480 -3.281 -0.729 0.00 0.00 +0.081 C ENDBRANCH 7 14 ENDBRANCH 1 10 BRANCH 3 15 ATOM 15 N LIG 1 0.633 -1.720 -1.753 0.00 0.00 -0.309 N ATOM 16 H LIG 1 0.249 -2.654 -1.644 0.00 0.00 +0.149 HD BRANCH 15 17 ATOM 17 C LIG 1 2.043 -1.601 -1.420 0.00 0.00 +0.092 C ATOM 18 C LIG 1 2.413 -1.455 0.059 0.00 0.00 +0.130 C ATOM 19 N LIG 1 3.743 -0.859 0.033 0.00 0.00 -0.296 N ATOM 20 C LIG 1 4.436 -0.647 1.209 0.00 0.00 +0.247 C ATOM 21 O LIG 1 3.997 -0.951 2.314 0.00 0.00 -0.270 OA ATOM 22 C LIG 1 4.059 -0.336 -1.292 0.00 0.00 +0.110 C ATOM 23 C LIG 1 2.754 -0.419 -2.078 0.00 0.00 +0.043 C BRANCH 20 24 ATOM 24 C LIG 1 5.766 -0.004 1.138 0.00 0.00 +0.037 A ATOM 25 C LIG 1 6.795 -0.558 0.365 0.00 0.00 +0.017 A ATOM 26 C LIG 1 8.059 0.053 0.319 0.00 0.00 -0.031 A ATOM 27 C LIG 1 9.146 -0.557 -0.520 0.00 0.00 +0.045 C ATOM 28 C LIG 1 8.272 1.218 1.077 0.00 0.00 +0.044 A ATOM 29 CL LIG 1 9.797 2.029 1.074 0.00 0.00 -0.083 Cl ATOM 30 C LIG 1 7.250 1.753 1.869 0.00 0.00 +0.021 A ATOM 31 C LIG 1 5.998 1.139 1.906 0.00 0.00 +0.014 A ENDBRANCH 20 24 ENDBRANCH 15 17 ENDBRANCH 3 15 BRANCH 5 32 ATOM 32 N LIG 1 -0.592 2.433 -0.003 0.00 0.00 -0.283 N ATOM 33 H LIG 1 0.377 2.541 -0.279 0.00 0.00 +0.155 HD BRANCH 32 34 ATOM 34 C LIG 1 -1.255 3.481 0.525 0.00 0.00 +0.146 A ATOM 35 N LIG 1 -2.537 3.545 0.896 0.00 0.00 -0.158 NA ATOM 36 N LIG 1 -2.695 4.792 1.360 0.00 0.00 -0.280 N ATOM 37 H LIG 1 -3.609 5.060 1.710 0.00 0.00 +0.189 HD ATOM 38 C LIG 1 -1.563 5.552 1.292 0.00 0.00 +0.035 A ATOM 39 C LIG 1 -1.520 6.958 1.746 0.00 0.00 +0.065 C ATOM 40 C LIG 1 -0.608 4.722 0.750 0.00 0.00 +0.068 A ENDBRANCH 32 34 ENDBRANCH 5 32 TORSDOF 7