REMARK Name = BDB017603 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.949 -0.489 -1.384 0.00 0.00 -0.031 A ATOM 2 C LIG 1 -1.809 -1.376 -0.721 0.00 0.00 +0.031 A ATOM 3 C LIG 1 -3.102 -0.977 -0.374 0.00 0.00 +0.051 A ATOM 4 C LIG 1 -3.571 0.311 -0.668 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -4.949 0.677 -0.264 0.00 0.00 +0.045 A ATOM 6 N LIG 1 -5.404 1.969 -0.507 0.00 0.00 -0.343 N ATOM 7 H LIG 1 -4.706 2.684 -0.318 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 -6.775 2.368 -0.215 0.00 0.00 +0.102 C ATOM 9 C LIG 1 -7.294 1.615 1.004 0.00 0.00 +0.023 C ATOM 10 C LIG 1 -7.110 0.103 0.830 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -5.729 -0.241 0.341 0.00 0.00 +0.038 A ATOM 12 C LIG 1 -5.236 -1.618 0.614 0.00 0.00 +0.254 A ATOM 13 O LIG 1 -5.946 -2.468 1.143 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 -2.714 1.185 -1.352 0.00 0.00 +0.012 A ATOM 15 N LIG 1 -3.945 -1.893 0.263 0.00 0.00 -0.322 N ATOM 16 H LIG 1 -3.625 -2.830 0.461 0.00 0.00 +0.169 HD ATOM 17 C LIG 1 -1.417 0.791 -1.703 0.00 0.00 +0.005 A ENDROOT BRANCH 1 18 ATOM 18 C LIG 1 0.450 -0.921 -1.770 0.00 0.00 +0.119 C BRANCH 18 22 ATOM 19 N LIG 1 3.976 -0.431 0.289 0.00 0.00 -0.327 N ATOM 20 C LIG 1 2.791 -0.372 1.163 0.00 0.00 +0.120 C ATOM 21 C LIG 1 1.502 -0.231 0.320 0.00 0.00 +0.103 C ATOM 22 N LIG 1 1.262 -1.350 -0.621 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 2.536 -1.961 -1.056 0.00 0.00 +0.103 C ATOM 24 C LIG 1 3.770 -1.028 -1.043 0.00 0.00 +0.120 C BRANCH 19 29 ATOM 25 C LIG 1 7.835 0.679 1.643 0.00 0.00 +0.070 A ATOM 26 C LIG 1 7.563 0.578 0.279 0.00 0.00 +0.060 A ATOM 27 CL LIG 1 8.764 0.901 -0.922 0.00 0.00 -0.082 Cl ATOM 28 C LIG 1 6.282 0.208 -0.161 0.00 0.00 +0.044 A ATOM 29 C LIG 1 5.236 -0.072 0.734 0.00 0.00 +0.031 A ATOM 30 C LIG 1 5.538 0.043 2.100 0.00 0.00 +0.024 A ATOM 31 C LIG 1 6.812 0.409 2.554 0.00 0.00 +0.022 A BRANCH 25 33 ATOM 32 N LIG 1 10.161 1.351 2.572 0.00 0.00 -0.191 NA ATOM 33 C LIG 1 9.127 1.052 2.138 0.00 0.00 +0.101 C ENDBRANCH 25 33 ENDBRANCH 19 29 ENDBRANCH 18 22 ENDBRANCH 1 18 TORSDOF 4