REMARK Name = BDB063532 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.102 1.447 -0.400 0.00 0.00 +0.000 A ATOM 2 C LIG 1 -2.772 0.949 -0.354 0.00 0.00 +0.000 A ATOM 3 C LIG 1 -2.567 -0.387 0.080 0.00 0.00 +0.000 A ATOM 4 C LIG 1 -1.270 -0.920 0.141 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.159 -0.144 -0.224 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.362 1.176 -0.654 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -3.663 -1.176 0.450 0.00 0.00 +0.000 A ATOM 8 C LIG 1 -4.945 -0.641 0.386 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.648 1.717 -0.720 0.00 0.00 +0.000 A ATOM 10 N LIG 1 -5.131 0.636 -0.030 0.00 0.00 +0.000 NA ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 1.212 -0.713 -0.158 0.00 0.00 +0.000 A ATOM 12 C LIG 1 2.282 0.058 0.336 0.00 0.00 +0.000 A ATOM 13 C LIG 1 3.580 -0.477 0.399 0.00 0.00 +0.000 A ATOM 14 C LIG 1 3.807 -1.791 -0.037 0.00 0.00 +0.000 A ATOM 15 C LIG 1 2.750 -2.560 -0.528 0.00 0.00 +0.000 A ATOM 16 C LIG 1 1.461 -2.028 -0.589 0.00 0.00 +0.000 A BRANCH 13 17 ATOM 17 B LIG 1 4.772 0.391 0.956 0.00 0.00 +0.000 B BRANCH 17 18 ATOM 18 O LIG 1 6.122 -0.166 1.025 0.00 0.00 +0.000 OA ATOM 19 H LIG 1 6.176 -0.581 1.923 0.00 0.00 +0.000 HD ENDBRANCH 17 18 BRANCH 17 20 ATOM 20 O LIG 1 4.539 1.762 1.409 0.00 0.00 +0.000 OA ATOM 21 H LIG 1 4.679 2.320 0.602 0.00 0.00 +0.000 HD ENDBRANCH 17 20 ENDBRANCH 13 17 ENDBRANCH 5 11 BRANCH 1 22 ATOM 22 N LIG 1 -4.418 2.781 -0.820 0.00 0.00 +0.000 N ATOM 23 H LIG 1 -3.708 3.485 -1.106 0.00 0.00 +0.000 HD ATOM 24 H LIG 1 -5.417 3.087 -0.838 0.00 0.00 +0.000 HD ENDBRANCH 1 22 TORSDOF 5