REMARK Name = BDB030767 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.173 -4.431 1.094 0.00 0.00 +0.152 C ATOM 2 N LIG 1 2.864 -3.206 0.720 0.00 0.00 -0.308 N ATOM 3 C LIG 1 2.150 -2.143 0.105 0.00 0.00 +0.054 A ATOM 4 C LIG 1 2.833 -0.981 -0.281 0.00 0.00 +0.025 A ATOM 5 C LIG 1 2.117 0.001 -1.007 0.00 0.00 +0.035 A ATOM 6 C LIG 1 0.741 -0.099 -1.272 0.00 0.00 +0.033 A ATOM 7 C LIG 1 0.088 -1.250 -0.850 0.00 0.00 +0.025 A ATOM 8 C LIG 1 4.283 -0.818 0.044 0.00 0.00 +0.084 A ATOM 9 N LIG 1 4.840 0.444 -0.175 0.00 0.00 -0.337 N ATOM 10 H LIG 1 4.160 1.191 -0.215 0.00 0.00 +0.146 HD ATOM 11 C LIG 1 6.036 0.714 -0.963 0.00 0.00 +0.077 C ATOM 12 C LIG 1 7.165 -0.270 -0.642 0.00 0.00 +0.063 C ATOM 13 C LIG 1 7.106 -0.733 0.805 0.00 0.00 +0.231 C ATOM 14 O LIG 1 6.289 -1.888 0.949 0.00 0.00 -0.485 OA ATOM 15 C LIG 1 4.953 -1.866 0.585 0.00 0.00 +0.207 A ATOM 16 C LIG 1 0.778 -2.258 -0.172 0.00 0.00 +0.028 A ATOM 17 C LIG 1 4.238 -3.157 0.893 0.00 0.00 +0.295 A ATOM 18 O LIG 1 4.886 -4.119 1.315 0.00 0.00 -0.264 OA ENDROOT BRANCH 11 19 ATOM 19 C LIG 1 6.511 2.144 -0.768 0.00 0.00 +0.009 C ATOM 20 C LIG 1 6.303 2.912 0.517 0.00 0.00 +0.005 C ATOM 21 C LIG 1 5.576 3.332 -0.733 0.00 0.00 +0.005 C ENDBRANCH 11 19 BRANCH 6 22 ATOM 22 N LIG 1 0.109 0.911 -2.024 0.00 0.00 -0.298 N ATOM 23 H LIG 1 0.699 1.719 -2.192 0.00 0.00 +0.154 HD BRANCH 22 24 ATOM 24 C LIG 1 -1.258 1.296 -2.054 0.00 0.00 +0.147 A ATOM 25 C LIG 1 -1.678 2.208 -3.012 0.00 0.00 +0.099 A ATOM 26 CL LIG 1 -0.617 2.946 -4.145 0.00 0.00 -0.078 Cl ATOM 27 C LIG 1 -3.015 2.517 -3.004 0.00 0.00 +0.137 A ATOM 28 N LIG 1 -3.896 1.991 -2.131 0.00 0.00 -0.221 NA ATOM 29 C LIG 1 -3.429 1.117 -1.228 0.00 0.00 +0.220 A ATOM 30 N LIG 1 -2.135 0.757 -1.180 0.00 0.00 -0.198 NA BRANCH 29 31 ATOM 31 N LIG 1 -4.303 0.559 -0.327 0.00 0.00 -0.294 N ATOM 32 C LIG 1 -5.650 1.100 -0.186 0.00 0.00 +0.142 C ATOM 33 C LIG 1 -6.138 1.078 1.287 0.00 0.00 +0.080 C ATOM 34 C LIG 1 -5.444 2.165 2.123 0.00 0.00 +0.043 C ATOM 35 C LIG 1 -7.650 1.350 1.312 0.00 0.00 +0.043 C ATOM 36 O LIG 1 -5.962 -0.182 1.960 0.00 0.00 -0.365 OA ATOM 37 C LIG 1 -4.923 -1.047 1.469 0.00 0.00 +0.080 C ATOM 38 C LIG 1 -5.579 -2.120 0.586 0.00 0.00 +0.043 C ATOM 39 C LIG 1 -4.337 -1.737 2.709 0.00 0.00 +0.043 C ATOM 40 C LIG 1 -3.783 -0.315 0.718 0.00 0.00 +0.142 C ENDBRANCH 29 31 ENDBRANCH 22 24 ENDBRANCH 6 22 TORSDOF 4