REMARK Name = BDB025264 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.703 -0.498 -0.389 0.00 0.00 +0.035 A ATOM 2 C LIG 1 1.273 0.728 0.127 0.00 0.00 +0.034 A ATOM 3 C LIG 1 -0.109 0.997 0.267 0.00 0.00 +0.011 A ATOM 4 C LIG 1 -0.838 2.120 0.758 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -2.187 1.807 0.664 0.00 0.00 +0.142 A ATOM 6 N LIG 1 -2.296 0.549 0.117 0.00 0.00 -0.313 N ATOM 7 N LIG 1 -3.226 2.580 1.045 0.00 0.00 -0.237 NA ATOM 8 C LIG 1 -2.845 3.778 1.545 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -1.536 4.218 1.685 0.00 0.00 +0.020 A ATOM 10 C LIG 1 -0.498 3.377 1.288 0.00 0.00 +0.013 A ATOM 11 C LIG 1 -1.036 0.023 -0.120 0.00 0.00 +0.052 A ATOM 12 C LIG 1 -0.621 -1.211 -0.644 0.00 0.00 +0.028 A ATOM 13 C LIG 1 0.754 -1.448 -0.773 0.00 0.00 +0.025 A ENDROOT BRANCH 6 14 ATOM 14 C LIG 1 -3.584 -0.116 -0.076 0.00 0.00 +0.176 C ATOM 15 C LIG 1 -3.771 -0.663 -1.484 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -3.290 -0.159 -2.496 0.00 0.00 -0.273 OA ATOM 17 N LIG 1 -4.594 -1.763 -1.601 0.00 0.00 -0.255 N ATOM 18 H LIG 1 -4.736 -2.106 -2.542 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 -5.321 -2.388 -0.619 0.00 0.00 +0.219 C ATOM 20 O LIG 1 -6.086 -3.309 -0.886 0.00 0.00 -0.275 OA ATOM 21 C LIG 1 -5.177 -1.834 0.778 0.00 0.00 +0.099 C ATOM 22 C LIG 1 -3.810 -1.202 0.978 0.00 0.00 +0.044 C ENDBRANCH 6 14 BRANCH 1 26 ATOM 23 N LIG 1 5.323 -0.724 -0.606 0.00 0.00 -0.299 N ATOM 24 H LIG 1 5.228 -1.089 -1.542 0.00 0.00 +0.150 HD ATOM 25 C LIG 1 4.164 -0.136 -0.128 0.00 0.00 +0.304 C ATOM 26 N LIG 1 3.060 -0.831 -0.571 0.00 0.00 -0.269 N ATOM 27 H LIG 1 3.256 -1.753 -0.931 0.00 0.00 +0.156 HD ATOM 28 O LIG 1 4.173 0.852 0.594 0.00 0.00 -0.253 OA BRANCH 23 30 ATOM 29 C LIG 1 7.753 -1.019 -0.684 0.00 0.00 +0.024 C ATOM 30 C LIG 1 6.601 -0.110 -0.301 0.00 0.00 +0.102 C ENDBRANCH 23 30 ENDBRANCH 1 26 TORSDOF 3