REMARK Name = BDB007210 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.644 0.498 0.712 0.00 0.00 +0.163 A ATOM 2 C LIG 1 -6.348 0.819 -0.455 0.00 0.00 +0.162 A ATOM 3 C LIG 1 -5.690 0.698 -1.683 0.00 0.00 +0.053 A ATOM 4 C LIG 1 -4.346 0.283 -1.746 0.00 0.00 -0.030 A ATOM 5 C LIG 1 -3.645 0.197 -3.066 0.00 0.00 +0.132 C ATOM 6 C LIG 1 -2.432 -0.714 -3.115 0.00 0.00 +0.225 C ATOM 7 N LIG 1 -1.745 -0.972 -1.926 0.00 0.00 -0.260 N ATOM 8 C LIG 1 -2.174 -0.377 -0.635 0.00 0.00 +0.142 C ATOM 9 O LIG 1 -2.116 -1.171 -4.218 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.639 0.012 -0.576 0.00 0.00 -0.015 A ATOM 11 C LIG 1 -4.298 0.130 0.657 0.00 0.00 +0.055 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -1.255 0.771 -0.200 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.007 1.877 -1.030 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.142 2.897 -0.622 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.480 2.822 0.622 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 1.551 4.073 1.118 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 0.242 1.740 1.463 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.622 0.721 1.056 0.00 0.00 +0.007 A ENDBRANCH 8 12 BRANCH 7 19 ATOM 19 C LIG 1 -0.454 -1.624 -1.942 0.00 0.00 +0.037 A ATOM 20 C LIG 1 0.009 -2.358 -0.844 0.00 0.00 +0.025 A ATOM 21 C LIG 1 1.310 -2.888 -0.810 0.00 0.00 +0.025 A ATOM 22 C LIG 1 2.219 -2.688 -1.856 0.00 0.00 +0.030 A ATOM 23 C LIG 1 1.724 -2.013 -2.978 0.00 0.00 +0.025 A ATOM 24 C LIG 1 0.420 -1.493 -3.024 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 3.541 -3.122 -1.797 0.00 0.00 -0.333 N ATOM 26 C LIG 1 3.928 -4.120 -0.803 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 4.613 -2.219 -2.261 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 5.039 -1.170 -1.205 0.00 0.00 +0.006 C ATOM 29 C LIG 1 4.025 -0.032 -1.030 0.00 0.00 +0.006 C ATOM 30 C LIG 1 4.449 0.894 0.109 0.00 0.00 +0.019 C ATOM 31 C LIG 1 5.887 1.434 -0.021 0.00 0.00 +0.056 C ATOM 32 C LIG 1 6.613 0.884 -1.266 0.00 0.00 +0.019 C ATOM 33 C LIG 1 6.426 -0.602 -1.570 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 6.735 1.351 1.183 0.00 0.00 -0.303 NA ATOM 35 C LIG 1 6.896 0.034 1.781 0.00 0.00 +0.105 C BRANCH 34 36 ATOM 36 C LIG 1 6.493 2.404 2.176 0.00 0.00 +0.081 C ATOM 37 C LIG 1 5.206 2.313 2.989 0.00 0.00 +0.020 C ENDBRANCH 34 36 ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 7 19 BRANCH 2 38 ATOM 38 O LIG 1 -7.643 1.234 -0.298 0.00 0.00 -0.491 OA ATOM 39 C LIG 1 -8.307 1.752 -1.443 0.00 0.00 +0.277 C ENDBRANCH 2 38 BRANCH 1 40 ATOM 40 O LIG 1 -6.189 0.617 1.965 0.00 0.00 -0.485 OA BRANCH 40 41 ATOM 41 C LIG 1 -7.200 -0.371 2.231 0.00 0.00 +0.170 C ATOM 42 C LIG 1 -8.327 0.323 2.991 0.00 0.00 +0.052 C BRANCH 41 44 ATOM 43 C LIG 1 -5.901 -1.120 4.326 0.00 0.00 +0.007 C ATOM 44 C LIG 1 -6.589 -1.534 3.031 0.00 0.00 +0.041 C ENDBRANCH 41 44 ENDBRANCH 40 41 ENDBRANCH 1 40 TORSDOF 11