REMARK Name = BDB042014 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.157 1.691 -1.423 0.00 0.00 +0.247 C ATOM 2 N LIG 1 -0.943 0.934 -1.794 0.00 0.00 -0.292 N ATOM 3 C LIG 1 -1.074 -0.537 -1.702 0.00 0.00 +0.090 C ATOM 4 C LIG 1 -2.068 -0.854 -0.551 0.00 0.00 +0.108 C ATOM 5 N LIG 1 -3.439 -0.335 -0.843 0.00 0.00 -0.285 NA ATOM 6 C LIG 1 -3.369 0.554 -2.044 0.00 0.00 +0.075 C ATOM 7 C LIG 1 -3.044 -0.379 -3.234 0.00 0.00 +0.022 C ATOM 8 C LIG 1 -1.674 -1.042 -3.022 0.00 0.00 +0.025 C ATOM 9 C LIG 1 -2.235 1.610 -1.944 0.00 0.00 +0.127 C ATOM 10 O LIG 1 0.098 2.894 -1.183 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 17 ATOM 11 N LIG 1 5.494 -0.265 0.580 0.00 0.00 -0.282 N ATOM 12 C LIG 1 5.276 -0.644 -0.736 0.00 0.00 +0.248 C ATOM 13 O LIG 1 6.011 -1.265 -1.478 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 3.952 -0.136 -1.111 0.00 0.00 +0.042 A ATOM 15 C LIG 1 3.452 0.602 -0.039 0.00 0.00 -0.017 A ATOM 16 C LIG 1 2.209 1.204 -0.124 0.00 0.00 +0.019 A ATOM 17 C LIG 1 1.476 1.030 -1.308 0.00 0.00 +0.037 A ATOM 18 C LIG 1 2.006 0.305 -2.398 0.00 0.00 +0.014 A ATOM 19 C LIG 1 3.262 -0.297 -2.300 0.00 0.00 +0.014 A ATOM 20 C LIG 1 4.451 0.629 1.068 0.00 0.00 +0.144 C BRANCH 11 27 ATOM 21 O LIG 1 10.871 -0.804 1.656 0.00 0.00 -0.275 OA ATOM 22 C LIG 1 9.659 -0.722 1.482 0.00 0.00 +0.219 C ATOM 23 N LIG 1 9.103 0.387 0.896 0.00 0.00 -0.255 N ATOM 24 H LIG 1 9.751 1.101 0.594 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 7.768 0.691 0.758 0.00 0.00 +0.240 C ATOM 26 O LIG 1 7.423 1.800 0.350 0.00 0.00 -0.273 OA ATOM 27 C LIG 1 6.779 -0.371 1.262 0.00 0.00 +0.163 C ATOM 28 C LIG 1 7.403 -1.765 1.185 0.00 0.00 +0.041 C ATOM 29 C LIG 1 8.701 -1.780 1.977 0.00 0.00 +0.098 C ENDBRANCH 11 27 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -4.037 0.323 0.355 0.00 0.00 +0.118 C BRANCH 30 31 ATOM 31 C LIG 1 -5.420 0.928 0.090 0.00 0.00 -0.026 A ATOM 32 C LIG 1 -6.447 0.185 -0.517 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.702 0.752 -0.743 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -7.951 2.069 -0.361 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.947 2.819 0.247 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -5.690 2.253 0.474 0.00 0.00 +0.005 A ENDBRANCH 30 31 BRANCH 30 37 ATOM 37 C LIG 1 -4.106 -0.603 1.580 0.00 0.00 -0.026 A ATOM 38 C LIG 1 -4.511 -1.945 1.475 0.00 0.00 +0.005 A ATOM 39 C LIG 1 -4.579 -2.762 2.605 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -4.251 -2.248 3.857 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -3.857 -0.918 3.982 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -3.788 -0.100 2.853 0.00 0.00 +0.005 A ENDBRANCH 30 37 ENDBRANCH 5 30 TORSDOF 5