REMARK Name = BDB011374 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.400 1.124 -0.082 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.550 0.103 -0.539 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.732 0.520 -0.318 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -2.120 0.018 -0.528 0.00 0.00 +0.161 C ATOM 5 N LIG 1 -2.896 1.234 -0.118 0.00 0.00 -0.239 N ATOM 6 C LIG 1 -2.053 2.267 0.383 0.00 0.00 +0.255 C ATOM 7 O LIG 1 -2.326 3.364 0.839 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.714 1.780 0.206 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.609 2.175 0.377 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -4.288 1.414 -0.099 0.00 0.00 +0.127 A ATOM 11 N LIG 1 -5.236 0.688 -0.794 0.00 0.00 -0.253 N ATOM 12 C LIG 1 -5.069 -0.233 -1.891 0.00 0.00 +0.174 C ATOM 13 N LIG 1 -6.508 1.024 -0.488 0.00 0.00 -0.175 NA ATOM 14 C LIG 1 -6.386 2.053 0.351 0.00 0.00 +0.062 A ATOM 15 C LIG 1 -7.588 2.726 0.895 0.00 0.00 +0.067 C ATOM 16 C LIG 1 -5.032 2.348 0.603 0.00 0.00 +0.068 A ENDBRANCH 5 10 BRANCH 4 17 ATOM 17 C LIG 1 -2.459 -1.196 0.323 0.00 0.00 -0.021 A ATOM 18 C LIG 1 -2.446 -1.135 1.729 0.00 0.00 +0.007 A ATOM 19 C LIG 1 -2.757 -2.257 2.501 0.00 0.00 +0.020 A ATOM 20 C LIG 1 -3.083 -3.457 1.876 0.00 0.00 +0.041 A ATOM 21 CL LIG 1 -3.461 -4.842 2.823 0.00 0.00 -0.084 Cl ATOM 22 C LIG 1 -3.101 -3.543 0.486 0.00 0.00 +0.020 A ATOM 23 C LIG 1 -2.788 -2.420 -0.285 0.00 0.00 +0.007 A ENDBRANCH 4 17 BRANCH 1 25 ATOM 24 C LIG 1 3.657 0.394 0.767 0.00 0.00 +0.228 A ATOM 25 C LIG 1 2.860 1.080 -0.128 0.00 0.00 +0.078 A ATOM 26 C LIG 1 3.566 1.761 -1.092 0.00 0.00 +0.129 A ATOM 27 N LIG 1 4.911 1.750 -1.193 0.00 0.00 -0.222 NA ATOM 28 C LIG 1 5.605 1.041 -0.286 0.00 0.00 +0.220 A ATOM 29 N LIG 1 5.004 0.353 0.697 0.00 0.00 -0.179 NA BRANCH 28 30 ATOM 30 N LIG 1 6.998 1.039 -0.354 0.00 0.00 -0.306 N ATOM 31 C LIG 1 7.545 1.428 -1.644 0.00 0.00 +0.132 C ATOM 32 C LIG 1 7.640 -0.073 0.326 0.00 0.00 +0.132 C ENDBRANCH 28 30 BRANCH 24 34 ATOM 33 C LIG 1 3.922 -0.855 2.737 0.00 0.00 +0.279 C ATOM 34 O LIG 1 3.023 -0.303 1.781 0.00 0.00 -0.479 OA ENDBRANCH 24 34 ENDBRANCH 1 25 BRANCH 2 35 ATOM 35 C LIG 1 1.006 -1.125 -1.194 0.00 0.00 +0.081 C ATOM 36 C LIG 1 0.974 -2.335 -0.264 0.00 0.00 +0.030 C ATOM 37 C LIG 1 0.296 -1.404 -2.519 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6