REMARK Name = BDB060107 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.144 -1.033 0.669 0.00 0.00 +0.253 A ATOM 2 N LIG 1 0.148 -0.783 0.354 0.00 0.00 -0.194 NA ATOM 3 C LIG 1 1.106 -1.626 0.784 0.00 0.00 +0.147 A ATOM 4 C LIG 1 0.776 -2.736 1.555 0.00 0.00 +0.099 A ATOM 5 CL LIG 1 1.944 -3.858 2.137 0.00 0.00 -0.078 Cl ATOM 6 C LIG 1 -0.561 -2.924 1.828 0.00 0.00 +0.138 A ATOM 7 N LIG 1 -1.537 -2.098 1.401 0.00 0.00 -0.217 NA ENDROOT BRANCH 1 11 ATOM 8 C LIG 1 -2.898 2.894 -1.590 0.00 0.00 +0.067 C ATOM 9 C LIG 1 -2.920 1.639 -0.800 0.00 0.00 +0.061 A ATOM 10 N LIG 1 -1.781 1.000 -0.531 0.00 0.00 -0.169 NA ATOM 11 N LIG 1 -2.144 -0.100 0.198 0.00 0.00 -0.202 N ATOM 12 C LIG 1 -3.525 -0.137 0.383 0.00 0.00 +0.045 A ATOM 13 C LIG 1 -4.250 -1.196 1.130 0.00 0.00 +0.066 C ATOM 14 C LIG 1 -4.033 0.976 -0.256 0.00 0.00 +0.048 A ENDBRANCH 1 11 BRANCH 3 15 ATOM 15 N LIG 1 2.473 -1.364 0.509 0.00 0.00 -0.298 N ATOM 16 H LIG 1 2.987 -2.235 0.415 0.00 0.00 +0.154 HD BRANCH 15 17 ATOM 17 C LIG 1 3.091 -0.297 -0.174 0.00 0.00 +0.032 A ATOM 18 C LIG 1 4.443 -0.432 -0.535 0.00 0.00 +0.025 A ATOM 19 C LIG 1 5.136 0.605 -1.169 0.00 0.00 +0.022 A ATOM 20 C LIG 1 4.487 1.806 -1.433 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 5.333 3.086 -2.210 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 3.160 1.977 -1.058 0.00 0.00 +0.022 A ATOM 23 C LIG 1 2.473 0.935 -0.422 0.00 0.00 +0.025 A ENDBRANCH 15 17 ENDBRANCH 3 15 TORSDOF 3