REMARK Name = BDB056588 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.933 -1.616 -0.020 0.00 0.00 +0.064 A ATOM 2 N LIG 1 -2.395 -0.334 -0.154 0.00 0.00 -0.245 N ATOM 3 C LIG 1 -3.056 0.913 -0.109 0.00 0.00 +0.421 C ATOM 4 O LIG 1 -2.538 1.925 -0.553 0.00 0.00 -0.223 OA ATOM 5 C LIG 1 -1.003 -0.478 -0.275 0.00 0.00 +0.065 A ATOM 6 C LIG 1 -0.679 -1.802 0.016 0.00 0.00 +0.019 A ATOM 7 C LIG 1 0.665 -2.183 0.031 0.00 0.00 +0.123 A ATOM 8 N LIG 1 1.643 -1.284 -0.231 0.00 0.00 -0.239 NA ATOM 9 C LIG 1 1.335 -0.005 -0.519 0.00 0.00 +0.125 A ATOM 10 C LIG 1 0.016 0.452 -0.539 0.00 0.00 +0.070 A ATOM 11 C LIG 1 -1.894 -2.494 0.220 0.00 0.00 +0.038 A ENDROOT BRANCH 1 16 ATOM 12 C LIG 1 -7.118 -4.471 -0.020 0.00 0.00 +0.172 C ATOM 13 N LIG 1 -6.200 -3.368 -0.170 0.00 0.00 -0.274 N ATOM 14 N LIG 1 -6.649 -2.195 -0.648 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 -5.556 -1.425 -0.659 0.00 0.00 +0.144 A ATOM 16 C LIG 1 -4.417 -2.092 -0.171 0.00 0.00 +0.036 A ATOM 17 C LIG 1 -4.865 -3.363 0.113 0.00 0.00 +0.118 A ENDBRANCH 1 16 BRANCH 9 18 ATOM 18 N LIG 1 2.349 0.946 -0.784 0.00 0.00 -0.298 N ATOM 19 H LIG 1 2.102 1.495 -1.605 0.00 0.00 +0.154 HD BRANCH 18 20 ATOM 20 C LIG 1 3.754 0.793 -0.691 0.00 0.00 +0.051 A ATOM 21 C LIG 1 4.609 1.566 -1.497 0.00 0.00 +0.063 A ATOM 22 CL LIG 1 3.957 2.656 -2.677 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 6.002 1.474 -1.387 0.00 0.00 +0.030 A ATOM 24 C LIG 1 6.594 0.615 -0.451 0.00 0.00 -0.015 A ATOM 25 C LIG 1 5.743 -0.136 0.374 0.00 0.00 +0.010 A ATOM 26 C LIG 1 4.349 -0.041 0.261 0.00 0.00 +0.025 A BRANCH 24 27 ATOM 27 C LIG 1 8.056 0.510 -0.331 0.00 0.00 +0.000 A ATOM 28 C LIG 1 8.711 -0.723 -0.340 0.00 0.00 +0.119 A ATOM 29 N LIG 1 10.053 -0.890 -0.231 0.00 0.00 -0.263 NA ATOM 30 C LIG 1 10.792 0.231 -0.108 0.00 0.00 +0.111 A ATOM 31 C LIG 1 10.254 1.506 -0.089 0.00 0.00 +0.020 A ATOM 32 C LIG 1 8.871 1.642 -0.202 0.00 0.00 +0.011 A ENDBRANCH 24 27 ENDBRANCH 18 20 ENDBRANCH 9 18 BRANCH 3 33 ATOM 33 O LIG 1 -4.219 0.811 0.575 0.00 0.00 -0.442 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.976 2.001 0.919 0.00 0.00 +0.107 C ATOM 35 C LIG 1 -5.468 2.736 -0.333 0.00 0.00 +0.055 C ATOM 36 C LIG 1 -4.164 2.922 1.837 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -6.195 1.486 1.700 0.00 0.00 +0.055 C ENDBRANCH 33 34 ENDBRANCH 3 33 TORSDOF 6