REMARK Name = BDB053752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.169 -0.464 -1.407 0.00 0.00 +0.124 A ATOM 2 C LIG 1 -0.195 -1.792 -1.902 0.00 0.00 +0.105 A ATOM 3 C LIG 1 -1.324 -2.429 -1.388 0.00 0.00 +0.071 A ATOM 4 C LIG 1 -1.598 -3.760 -1.728 0.00 0.00 +0.029 A ATOM 5 C LIG 1 -0.696 -4.387 -2.583 0.00 0.00 +0.022 A ATOM 6 C LIG 1 0.402 -3.680 -3.041 0.00 0.00 +0.111 A ATOM 7 N LIG 1 -1.980 -1.504 -0.597 0.00 0.00 -0.306 N ATOM 8 N LIG 1 0.693 -2.403 -2.728 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 -1.271 -0.311 -0.571 0.00 0.00 +0.217 A ENDROOT BRANCH 1 16 ATOM 10 C LIG 1 4.056 1.843 -0.438 0.00 0.00 +0.097 C ATOM 11 N LIG 1 4.665 0.620 0.147 0.00 0.00 -0.308 NA ATOM 12 H LIG 1 5.205 0.146 -0.577 0.00 0.00 +0.122 HD ATOM 13 C LIG 1 3.605 -0.275 0.634 0.00 0.00 +0.100 C ATOM 14 C LIG 1 2.570 -0.648 -0.439 0.00 0.00 +0.123 C ATOM 15 N LIG 1 2.037 0.530 -1.128 0.00 0.00 -0.295 N ATOM 16 C LIG 1 0.793 0.560 -1.764 0.00 0.00 +0.254 C ATOM 17 O LIG 1 0.496 1.434 -2.578 0.00 0.00 -0.270 OA ATOM 18 C LIG 1 3.030 1.515 -1.548 0.00 0.00 +0.129 C BRANCH 10 19 ATOM 19 C LIG 1 5.134 2.792 -1.017 0.00 0.00 +0.179 C BRANCH 19 21 ATOM 20 C LIG 1 5.721 3.911 1.006 0.00 0.00 +0.194 C ATOM 21 O LIG 1 6.175 3.149 -0.103 0.00 0.00 -0.381 OA ENDBRANCH 19 21 ENDBRANCH 10 19 ENDBRANCH 1 16 BRANCH 7 22 ATOM 22 C LIG 1 -3.219 -1.734 0.152 0.00 0.00 +0.091 C ATOM 23 C LIG 1 -4.429 -2.022 -0.758 0.00 0.00 +0.025 C ATOM 24 C LIG 1 -5.488 -2.900 -0.087 0.00 0.00 +0.002 C ATOM 25 C LIG 1 -5.605 -2.600 1.401 0.00 0.00 +0.000 C ATOM 26 C LIG 1 -4.297 -2.865 2.150 0.00 0.00 +0.002 C ATOM 27 C LIG 1 -3.051 -2.777 1.265 0.00 0.00 +0.025 C ENDBRANCH 7 22 BRANCH 9 28 ATOM 28 O LIG 1 -1.734 0.702 0.177 0.00 0.00 -0.438 OA BRANCH 28 29 ATOM 29 C LIG 1 -0.881 1.681 0.635 0.00 0.00 +0.136 A ATOM 30 C LIG 1 -0.074 1.436 1.762 0.00 0.00 -0.008 A ATOM 31 C LIG 1 -0.112 0.122 2.487 0.00 0.00 +0.047 C ATOM 32 C LIG 1 0.783 2.450 2.209 0.00 0.00 +0.007 A ATOM 33 C LIG 1 0.799 3.694 1.577 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -0.046 3.942 0.496 0.00 0.00 +0.007 A ATOM 35 C LIG 1 -0.897 2.939 0.012 0.00 0.00 -0.008 A ATOM 36 C LIG 1 -1.838 3.246 -1.118 0.00 0.00 +0.047 C ENDBRANCH 28 29 ENDBRANCH 9 28 TORSDOF 6