REMARK Name = BDB030784 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.358 2.327 0.597 0.00 0.00 +0.031 C ATOM 2 C LIG 1 -6.984 0.862 0.388 0.00 0.00 +0.105 C ATOM 3 N LIG 1 -5.659 0.789 -0.254 0.00 0.00 -0.337 N ATOM 4 H LIG 1 -5.070 1.589 -0.048 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -4.957 -0.410 -0.441 0.00 0.00 +0.056 A ATOM 6 C LIG 1 -3.530 -0.464 -0.004 0.00 0.00 +0.022 A ATOM 7 C LIG 1 -2.726 -1.557 -0.372 0.00 0.00 +0.054 A ATOM 8 N LIG 1 -3.303 -2.653 -1.077 0.00 0.00 -0.310 N ATOM 9 C LIG 1 -4.664 -2.709 -1.349 0.00 0.00 +0.267 A ATOM 10 O LIG 1 -5.210 -3.712 -1.809 0.00 0.00 -0.267 OA ATOM 11 C LIG 1 -2.488 -3.806 -1.432 0.00 0.00 +0.152 C ATOM 12 C LIG 1 -1.375 -1.574 0.009 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.824 -0.539 0.768 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.598 0.545 1.168 0.00 0.00 +0.033 A ATOM 15 C LIG 1 -2.954 0.547 0.800 0.00 0.00 +0.035 A ATOM 16 C LIG 1 -5.463 -1.499 -1.057 0.00 0.00 +0.145 A ATOM 17 C LIG 1 -6.838 -1.432 -1.579 0.00 0.00 +0.346 C ATOM 18 O LIG 1 -7.154 -1.538 -2.754 0.00 0.00 -0.245 OA ATOM 19 O LIG 1 -7.728 -1.234 -0.571 0.00 0.00 -0.459 OA ATOM 20 C LIG 1 -8.056 0.154 -0.456 0.00 0.00 +0.254 C ENDROOT BRANCH 14 21 ATOM 21 N LIG 1 -1.113 1.573 2.001 0.00 0.00 -0.298 N ATOM 22 H LIG 1 -1.765 2.342 2.113 0.00 0.00 +0.154 HD BRANCH 21 23 ATOM 23 C LIG 1 0.216 2.044 2.188 0.00 0.00 +0.147 A ATOM 24 C LIG 1 0.465 2.963 3.197 0.00 0.00 +0.099 A ATOM 25 CL LIG 1 -0.764 3.610 4.210 0.00 0.00 -0.078 Cl ATOM 26 C LIG 1 1.771 3.355 3.346 0.00 0.00 +0.137 A ATOM 27 N LIG 1 2.777 2.900 2.576 0.00 0.00 -0.221 NA ATOM 28 C LIG 1 2.473 2.016 1.612 0.00 0.00 +0.220 A ATOM 29 N LIG 1 1.218 1.577 1.413 0.00 0.00 -0.198 NA BRANCH 28 30 ATOM 30 N LIG 1 3.486 1.562 0.785 0.00 0.00 -0.300 N ATOM 31 C LIG 1 3.177 0.518 -0.178 0.00 0.00 +0.108 C ATOM 32 C LIG 1 4.156 0.578 -1.353 0.00 0.00 +0.032 C ATOM 33 C LIG 1 5.610 0.805 -0.920 0.00 0.00 +0.078 C ATOM 34 C LIG 1 5.814 0.746 0.592 0.00 0.00 +0.032 C ATOM 35 C LIG 1 4.846 1.694 1.301 0.00 0.00 +0.108 C BRANCH 33 36 ATOM 36 C LIG 1 6.633 -0.019 -1.702 0.00 0.00 +0.218 C ATOM 37 N LIG 1 6.622 -1.407 -1.673 0.00 0.00 -0.307 N ATOM 38 C LIG 1 5.853 -2.240 -0.765 0.00 0.00 +0.131 C ATOM 39 C LIG 1 7.688 -2.101 -2.384 0.00 0.00 +0.131 C ATOM 40 O LIG 1 7.480 0.595 -2.361 0.00 0.00 -0.275 OA ENDBRANCH 33 36 ENDBRANCH 28 30 ENDBRANCH 21 23 ENDBRANCH 14 21 TORSDOF 4