REMARK Name = BDB001381 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.426 -1.531 0.272 0.00 0.00 +0.192 C ATOM 2 N LIG 1 -2.096 -0.294 0.661 0.00 0.00 -0.257 N ATOM 3 C LIG 1 -2.760 0.303 -0.393 0.00 0.00 +0.250 C ATOM 4 O LIG 1 -3.446 1.307 -0.385 0.00 0.00 -0.270 OA ATOM 5 C LIG 1 -2.523 -0.525 -1.580 0.00 0.00 +0.045 A ATOM 6 C LIG 1 -2.972 -0.335 -2.873 0.00 0.00 +0.013 A ATOM 7 C LIG 1 -2.621 -1.296 -3.823 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -1.843 -2.411 -3.461 0.00 0.00 +0.000 A ATOM 9 C LIG 1 -1.401 -2.583 -2.144 0.00 0.00 +0.009 A ATOM 10 C LIG 1 -1.747 -1.621 -1.206 0.00 0.00 +0.019 A ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 -1.992 -2.752 1.022 0.00 0.00 +0.007 A ATOM 12 C LIG 1 -1.145 -3.682 1.654 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -1.665 -4.792 2.324 0.00 0.00 +0.000 A ATOM 14 C LIG 1 -3.041 -4.998 2.373 0.00 0.00 +0.000 A ATOM 15 C LIG 1 -3.900 -4.096 1.752 0.00 0.00 +0.000 A ATOM 16 C LIG 1 -3.382 -2.985 1.082 0.00 0.00 +0.008 A ENDBRANCH 1 11 BRANCH 1 17 ATOM 17 O LIG 1 -0.024 -1.417 0.543 0.00 0.00 -0.346 OA BRANCH 17 18 ATOM 18 C LIG 1 0.724 -0.513 -0.277 0.00 0.00 +0.182 C BRANCH 18 19 ATOM 19 C LIG 1 2.175 -0.473 0.223 0.00 0.00 +0.133 C BRANCH 19 21 ATOM 20 C LIG 1 3.635 -0.945 -1.733 0.00 0.00 +0.129 C ATOM 21 N LIG 1 3.110 0.047 -0.795 0.00 0.00 -0.331 N BRANCH 21 22 ATOM 22 C LIG 1 3.097 1.397 -1.148 0.00 0.00 +0.030 A ATOM 23 C LIG 1 3.655 1.864 -2.354 0.00 0.00 +0.024 A ATOM 24 C LIG 1 3.656 3.222 -2.708 0.00 0.00 +0.013 A ATOM 25 C LIG 1 3.097 4.159 -1.845 0.00 0.00 +0.014 A ATOM 26 C LIG 1 2.547 3.743 -0.639 0.00 0.00 +0.013 A ATOM 27 C LIG 1 2.557 2.382 -0.302 0.00 0.00 +0.024 A BRANCH 25 28 ATOM 28 C LIG 1 3.100 5.588 -2.215 0.00 0.00 +0.258 C ATOM 29 O LIG 1 2.634 6.454 -1.485 0.00 0.00 -0.296 OA ENDBRANCH 25 28 ENDBRANCH 21 22 ENDBRANCH 19 21 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 BRANCH 2 30 ATOM 30 C LIG 1 -2.192 0.169 2.032 0.00 0.00 +0.146 C BRANCH 30 31 ATOM 31 C LIG 1 -1.085 1.112 2.431 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -0.040 0.676 3.257 0.00 0.00 +0.005 A ATOM 33 C LIG 1 0.958 1.564 3.664 0.00 0.00 +0.000 A ATOM 34 C LIG 1 0.923 2.893 3.246 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -0.103 3.334 2.412 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -1.100 2.447 2.003 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 9