REMARK Name = BDB006701 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.240 -0.763 0.091 0.00 0.00 -0.253 N ATOM 2 C LIG 1 -0.238 0.182 0.679 0.00 0.00 +0.146 C ATOM 3 C LIG 1 1.045 -0.501 0.392 0.00 0.00 +0.030 A ATOM 4 C LIG 1 0.812 -1.669 -0.311 0.00 0.00 +0.153 A ATOM 5 N LIG 1 1.919 -2.336 -0.602 0.00 0.00 -0.166 NA ATOM 6 N LIG 1 2.907 -1.566 -0.057 0.00 0.00 -0.262 N ATOM 7 C LIG 1 2.406 -0.433 0.593 0.00 0.00 +0.043 A ATOM 8 C LIG 1 3.185 0.587 1.332 0.00 0.00 +0.065 C ATOM 9 C LIG 1 -0.601 -1.878 -0.538 0.00 0.00 +0.272 C ATOM 10 O LIG 1 -1.101 -2.822 -1.130 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 19 ATOM 11 C LIG 1 -4.972 1.974 1.912 0.00 0.00 +0.047 C ATOM 12 C LIG 1 -4.497 0.797 1.100 0.00 0.00 -0.004 A ATOM 13 C LIG 1 -5.407 -0.092 0.448 0.00 0.00 +0.164 A ATOM 14 N LIG 1 -4.884 -1.148 -0.272 0.00 0.00 -0.285 N ATOM 15 C LIG 1 -5.980 -1.818 -0.772 0.00 0.00 +0.135 A ATOM 16 N LIG 1 -7.080 -1.206 -0.379 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -5.901 -3.032 -1.614 0.00 0.00 +0.088 C ATOM 18 C LIG 1 -3.521 -1.393 -0.404 0.00 0.00 +0.118 A ATOM 19 C LIG 1 -2.621 -0.580 0.187 0.00 0.00 +0.055 A ATOM 20 N LIG 1 -6.720 -0.123 0.387 0.00 0.00 -0.129 NA ATOM 21 C LIG 1 -3.171 0.544 0.966 0.00 0.00 +0.032 A ENDBRANCH 1 19 BRANCH 2 22 ATOM 22 C LIG 1 -0.156 1.531 -0.014 0.00 0.00 -0.022 A ATOM 23 C LIG 1 -0.264 1.671 -1.411 0.00 0.00 +0.007 A ATOM 24 C LIG 1 -0.186 2.929 -2.013 0.00 0.00 +0.020 A ATOM 25 C LIG 1 0.001 4.063 -1.229 0.00 0.00 +0.041 A ATOM 26 CL LIG 1 0.100 5.612 -1.970 0.00 0.00 -0.084 Cl ATOM 27 C LIG 1 0.111 3.950 0.155 0.00 0.00 +0.020 A ATOM 28 C LIG 1 0.033 2.693 0.758 0.00 0.00 +0.007 A ENDBRANCH 2 22 BRANCH 6 29 ATOM 29 C LIG 1 4.298 -2.024 -0.254 0.00 0.00 +0.135 C ATOM 30 C LIG 1 5.289 -1.880 0.908 0.00 0.00 +0.112 C ATOM 31 N LIG 1 6.307 -1.465 -0.094 0.00 0.00 -0.301 NA ATOM 32 C LIG 1 7.069 -0.314 0.372 0.00 0.00 +0.105 C ATOM 33 C LIG 1 5.212 -1.047 -1.010 0.00 0.00 +0.112 C ENDBRANCH 6 29 TORSDOF 3