REMARK Name = BDB035795 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.654 -1.956 0.331 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.073 -0.689 0.451 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.438 0.398 0.041 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.148 -0.854 1.251 0.00 0.00 +0.044 A ATOM 5 C LIG 1 1.259 -2.191 1.611 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.331 -2.609 2.373 0.00 0.00 +0.047 A ATOM 7 C LIG 1 3.286 -1.667 2.774 0.00 0.00 +0.025 A ATOM 8 C LIG 1 3.163 -0.306 2.412 0.00 0.00 -0.031 A ATOM 9 CL LIG 1 2.501 -4.254 2.837 0.00 0.00 -0.083 Cl ATOM 10 C LIG 1 2.072 0.104 1.629 0.00 0.00 +0.018 A ATOM 11 C LIG 1 0.108 -2.960 1.063 0.00 0.00 +0.151 C ENDROOT BRANCH 1 14 ATOM 12 C LIG 1 -3.694 -1.590 -1.885 0.00 0.00 -0.032 A ATOM 13 C LIG 1 -2.485 -1.333 -1.198 0.00 0.00 +0.028 A ATOM 14 C LIG 1 -1.845 -2.275 -0.376 0.00 0.00 +0.037 A ATOM 15 C LIG 1 -2.423 -3.545 -0.273 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -3.613 -3.843 -0.936 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -4.239 -2.876 -1.720 0.00 0.00 +0.005 A BRANCH 12 18 ATOM 18 C LIG 1 -4.417 -0.486 -2.792 0.00 0.00 +0.058 C ATOM 19 C LIG 1 -4.809 -0.946 -4.247 0.00 0.00 +0.038 C ATOM 20 C LIG 1 -4.481 0.480 -4.732 0.00 0.00 +0.083 C ATOM 21 CL LIG 1 -3.781 0.691 -6.364 0.00 0.00 -0.122 Cl ATOM 22 C LIG 1 -3.543 0.601 -3.511 0.00 0.00 +0.038 C BRANCH 18 25 ATOM 23 C LIG 1 -4.461 1.222 -0.028 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -5.600 0.868 -0.829 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.635 0.151 -1.996 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -6.886 0.056 -2.398 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -7.678 0.712 -1.488 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -6.894 1.192 -0.552 0.00 0.00 +0.224 A ENDBRANCH 18 25 ENDBRANCH 12 18 ENDBRANCH 1 14 BRANCH 8 29 ATOM 29 C LIG 1 4.210 0.700 2.834 0.00 0.00 +0.117 C BRANCH 29 30 ATOM 30 N LIG 1 5.113 0.979 1.720 0.00 0.00 -0.307 NA ATOM 31 H LIG 1 5.622 0.128 1.486 0.00 0.00 +0.123 HD BRANCH 30 32 ATOM 32 C LIG 1 5.980 2.147 1.968 0.00 0.00 +0.017 C ATOM 33 C LIG 1 5.187 3.456 1.690 0.00 0.00 +0.022 C ATOM 34 C LIG 1 5.593 3.350 0.206 0.00 0.00 +0.004 C ATOM 35 C LIG 1 6.748 2.425 0.641 0.00 0.00 +0.022 C ATOM 36 C LIG 1 6.850 2.057 3.204 0.00 0.00 +0.027 C ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 6