REMARK Name = BDB038716 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.655 1.087 -0.627 0.00 0.00 -0.012 A ATOM 2 C LIG 1 2.296 0.872 -0.892 0.00 0.00 +0.052 A ATOM 3 C LIG 1 1.337 1.182 0.065 0.00 0.00 +0.129 A ATOM 4 N LIG 1 1.694 1.736 1.238 0.00 0.00 -0.236 NA ATOM 5 C LIG 1 2.992 2.003 1.508 0.00 0.00 +0.047 A ATOM 6 C LIG 1 3.989 1.676 0.595 0.00 0.00 +0.032 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 -0.025 0.897 -0.168 0.00 0.00 -0.248 N ATOM 8 C LIG 1 -1.061 1.175 0.725 0.00 0.00 +0.253 C ATOM 9 O LIG 1 -1.073 1.713 1.815 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 -2.295 0.680 0.098 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -1.966 0.129 -1.132 0.00 0.00 +0.018 A ATOM 12 C LIG 1 -2.954 -0.401 -1.928 0.00 0.00 +0.129 A ATOM 13 C LIG 1 -4.278 -0.381 -1.487 0.00 0.00 +0.043 A ATOM 14 C LIG 1 -4.611 0.174 -0.231 0.00 0.00 -0.030 A ATOM 15 F LIG 1 -2.654 -0.930 -3.120 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -3.594 0.717 0.574 0.00 0.00 +0.018 A ATOM 17 C LIG 1 -0.503 0.225 -1.367 0.00 0.00 +0.154 C BRANCH 14 18 ATOM 18 C LIG 1 -6.051 0.194 0.242 0.00 0.00 +0.120 C BRANCH 18 19 ATOM 19 N LIG 1 -6.247 -0.548 1.499 0.00 0.00 -0.295 NA ATOM 20 C LIG 1 -6.129 -2.022 1.316 0.00 0.00 +0.060 C ATOM 21 C LIG 1 -7.484 -2.648 1.411 0.00 0.00 +0.009 C ATOM 22 C LIG 1 -8.465 -1.531 1.588 0.00 0.00 +0.020 C ATOM 23 C LIG 1 -6.440 -2.963 2.448 0.00 0.00 +0.024 C ATOM 24 C LIG 1 -7.619 -0.321 2.020 0.00 0.00 +0.085 C ENDBRANCH 18 19 ENDBRANCH 14 18 ENDBRANCH 3 7 BRANCH 1 26 ATOM 25 C LIG 1 4.792 -0.622 -2.130 0.00 0.00 +0.028 A ATOM 26 C LIG 1 4.700 0.688 -1.594 0.00 0.00 -0.007 A ATOM 27 C LIG 1 5.641 1.645 -2.024 0.00 0.00 +0.010 A ATOM 28 C LIG 1 6.632 1.325 -2.957 0.00 0.00 +0.019 A ATOM 29 C LIG 1 6.702 0.038 -3.491 0.00 0.00 +0.052 A ATOM 30 C LIG 1 5.782 -0.929 -3.081 0.00 0.00 +0.031 A BRANCH 25 33 ATOM 31 C LIG 1 4.612 -2.132 0.616 0.00 0.00 +0.152 C ATOM 32 N LIG 1 3.779 -2.316 -0.541 0.00 0.00 -0.317 N ATOM 33 C LIG 1 3.861 -1.686 -1.759 0.00 0.00 +0.164 A ATOM 34 N LIG 1 2.924 -2.186 -2.544 0.00 0.00 -0.129 NA ATOM 35 N LIG 1 2.206 -3.114 -1.828 0.00 0.00 -0.138 NA ATOM 36 C LIG 1 2.732 -3.183 -0.629 0.00 0.00 +0.225 A ENDBRANCH 25 33 BRANCH 29 37 ATOM 37 C LIG 1 7.713 -0.289 -4.454 0.00 0.00 +0.099 C ATOM 38 N LIG 1 8.540 -0.551 -5.224 0.00 0.00 -0.191 NA ENDBRANCH 29 37 ENDBRANCH 1 26 BRANCH 5 39 ATOM 39 C LIG 1 3.337 2.634 2.836 0.00 0.00 +0.038 C ATOM 40 C LIG 1 3.883 4.043 2.887 0.00 0.00 +0.010 C ATOM 41 C LIG 1 2.491 3.767 3.370 0.00 0.00 +0.010 C ENDBRANCH 5 39 TORSDOF 7