REMARK Name = BDB060527 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.566 -0.581 0.327 0.00 0.00 +0.188 C ENDROOT BRANCH 1 2 ATOM 2 N LIG 1 1.612 0.054 -0.486 0.00 0.00 -0.231 N ATOM 3 C LIG 1 2.474 1.057 -0.099 0.00 0.00 +0.090 A ATOM 4 C LIG 1 3.207 1.306 -1.254 0.00 0.00 +0.113 A ATOM 5 C LIG 1 4.208 2.288 -1.242 0.00 0.00 +0.032 A ATOM 6 C LIG 1 4.436 2.997 -0.057 0.00 0.00 +0.002 A ATOM 7 C LIG 1 3.684 2.734 1.090 0.00 0.00 +0.002 A ATOM 8 N LIG 1 2.777 0.488 -2.261 0.00 0.00 -0.129 NA ATOM 9 C LIG 1 2.682 1.756 1.096 0.00 0.00 +0.029 A ATOM 10 N LIG 1 1.797 -0.269 -1.789 0.00 0.00 -0.064 NA ENDBRANCH 1 2 BRANCH 1 14 ATOM 11 C LIG 1 -3.385 1.245 0.076 0.00 0.00 +0.120 A ATOM 12 C LIG 1 -2.981 0.558 1.218 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -1.706 -0.017 1.278 0.00 0.00 +0.009 A ATOM 14 C LIG 1 -0.805 0.087 0.201 0.00 0.00 -0.017 A ATOM 15 C LIG 1 -1.231 0.772 -0.947 0.00 0.00 +0.009 A ATOM 16 C LIG 1 -2.505 1.346 -1.002 0.00 0.00 +0.046 A BRANCH 11 18 ATOM 17 C LIG 1 -5.530 1.773 0.955 0.00 0.00 +0.277 C ATOM 18 O LIG 1 -4.596 1.850 -0.115 0.00 0.00 -0.495 OA ENDBRANCH 11 18 ENDBRANCH 1 14 BRANCH 1 19 ATOM 19 C LIG 1 0.540 -2.096 0.167 0.00 0.00 +0.070 A ATOM 20 N LIG 1 1.006 -2.825 1.221 0.00 0.00 -0.257 NA ATOM 21 C LIG 1 0.983 -4.172 1.111 0.00 0.00 +0.111 A ATOM 22 C LIG 1 0.504 -4.848 0.004 0.00 0.00 +0.020 A ATOM 23 C LIG 1 0.020 -4.099 -1.060 0.00 0.00 +0.003 A ATOM 24 C LIG 1 0.033 -2.709 -0.981 0.00 0.00 +0.026 A ENDBRANCH 1 19 TORSDOF 4