REMARK Name = BDB009618 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.150 -1.126 0.079 0.00 0.00 -0.290 N ATOM 2 C LIG 1 -0.758 0.226 0.131 0.00 0.00 +0.114 C ATOM 3 C LIG 1 0.095 1.318 0.853 0.00 0.00 +0.045 C ATOM 4 C LIG 1 1.325 0.735 1.551 0.00 0.00 +0.026 C ATOM 5 C LIG 1 2.133 -0.194 0.624 0.00 0.00 +0.050 C ATOM 6 C LIG 1 3.320 -0.721 1.466 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.216 -1.360 0.246 0.00 0.00 +0.223 C ATOM 8 O LIG 1 1.708 -2.478 0.061 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -1.186 0.744 -1.249 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -0.570 0.329 -2.442 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -0.972 0.847 -3.677 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.995 1.788 -3.735 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.489 2.425 -5.253 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -2.622 2.214 -2.568 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.220 1.695 -1.334 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -0.723 2.155 1.834 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -0.867 3.536 1.622 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -1.618 4.313 2.505 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -1.789 6.001 2.222 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -2.232 3.732 3.611 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -2.093 2.363 3.837 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -1.344 1.580 2.956 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 -1.033 -2.333 0.140 0.00 0.00 +0.076 C BRANCH 23 25 ATOM 24 C LIG 1 -1.954 -4.033 1.823 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -1.409 -2.627 1.609 0.00 0.00 +0.019 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 -2.217 -2.382 -0.855 0.00 0.00 +0.019 C ATOM 27 C LIG 1 -3.539 -1.762 -0.421 0.00 0.00 +0.006 C ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 28 ATOM 28 C LIG 1 2.652 0.545 -0.631 0.00 0.00 +0.070 C BRANCH 28 29 ATOM 29 C LIG 1 3.627 -0.178 -1.513 0.00 0.00 +0.041 A ATOM 30 N LIG 1 3.582 -1.527 -1.795 0.00 0.00 -0.278 N ATOM 31 H LIG 1 2.949 -2.233 -1.419 0.00 0.00 +0.189 HD ATOM 32 N LIG 1 4.535 -1.924 -2.656 0.00 0.00 -0.136 NA ATOM 33 C LIG 1 5.203 -0.809 -2.904 0.00 0.00 +0.231 A ATOM 34 C LIG 1 4.701 0.310 -2.235 0.00 0.00 +0.091 A BRANCH 33 35 ATOM 35 O LIG 1 6.236 -0.898 -3.745 0.00 0.00 -0.491 OA ATOM 36 H LIG 1 6.644 -0.026 -3.845 0.00 0.00 +0.294 HD ENDBRANCH 33 35 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 8