REMARK Name = BDB022429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -4.218 1.824 1.349 0.00 0.00 -0.035 A ATOM 2 C LIG 1 -2.844 1.565 1.171 0.00 0.00 +0.014 A ATOM 3 C LIG 1 -2.102 0.795 2.089 0.00 0.00 +0.001 A ATOM 4 C LIG 1 -2.792 0.281 3.200 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -4.151 0.533 3.398 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -4.858 1.306 2.481 0.00 0.00 +0.004 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.659 0.524 1.905 0.00 0.00 +0.071 A ATOM 8 N LIG 1 -0.203 -0.639 2.433 0.00 0.00 -0.253 NA ATOM 9 C LIG 1 1.115 -0.941 2.292 0.00 0.00 +0.134 A ATOM 10 C LIG 1 2.035 -0.128 1.641 0.00 0.00 +0.052 A ATOM 11 C LIG 1 1.554 1.067 1.111 0.00 0.00 +0.027 A ATOM 12 C LIG 1 0.203 1.398 1.244 0.00 0.00 +0.030 A BRANCH 10 13 ATOM 13 N LIG 1 3.403 -0.419 1.474 0.00 0.00 -0.281 N ATOM 14 H LIG 1 3.955 0.273 0.982 0.00 0.00 +0.155 HD ATOM 15 C LIG 1 4.076 -1.513 1.966 0.00 0.00 +0.241 C ATOM 16 O LIG 1 3.633 -2.395 2.690 0.00 0.00 -0.271 OA BRANCH 15 17 ATOM 17 C LIG 1 5.517 -1.537 1.603 0.00 0.00 +0.064 C ATOM 18 C LIG 1 5.972 -1.236 0.376 0.00 0.00 -0.007 C BRANCH 18 19 ATOM 19 C LIG 1 7.424 -1.283 -0.006 0.00 0.00 +0.112 C BRANCH 19 20 ATOM 20 N LIG 1 7.908 0.047 -0.397 0.00 0.00 -0.299 NA ATOM 21 C LIG 1 7.496 0.457 -1.751 0.00 0.00 +0.085 C ATOM 22 C LIG 1 8.216 -0.281 -2.883 0.00 0.00 +0.015 C ATOM 23 C LIG 1 9.731 -0.203 -2.725 0.00 0.00 +0.002 C ATOM 24 C LIG 1 10.152 -0.619 -1.320 0.00 0.00 +0.015 C ATOM 25 C LIG 1 9.370 0.158 -0.259 0.00 0.00 +0.085 C ENDBRANCH 19 20 ENDBRANCH 18 19 ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 3 7 BRANCH 1 27 ATOM 26 C LIG 1 -4.604 4.148 0.531 0.00 0.00 +0.022 C ATOM 27 C LIG 1 -5.001 2.675 0.355 0.00 0.00 +0.102 C BRANCH 27 28 ATOM 28 C LIG 1 -4.768 2.232 -1.095 0.00 0.00 +0.225 C ATOM 29 N LIG 1 -5.388 1.146 -1.634 0.00 0.00 -0.268 N ATOM 30 H LIG 1 -5.071 0.930 -2.568 0.00 0.00 +0.156 HD ATOM 31 O LIG 1 -3.959 2.827 -1.823 0.00 0.00 -0.275 OA BRANCH 29 32 ATOM 32 C LIG 1 -6.364 0.327 -1.119 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -6.994 0.494 0.045 0.00 0.00 -0.158 NA ATOM 34 N LIG 1 -7.835 -0.550 0.127 0.00 0.00 -0.280 N ATOM 35 H LIG 1 -8.409 -0.649 0.957 0.00 0.00 +0.189 HD ATOM 36 C LIG 1 -7.800 -1.352 -0.970 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -6.852 -0.816 -1.803 0.00 0.00 +0.068 A BRANCH 36 38 ATOM 38 C LIG 1 -8.633 -2.629 -1.203 0.00 0.00 +0.037 C ATOM 39 C LIG 1 -9.504 -2.719 -2.428 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -10.131 -2.556 -1.074 0.00 0.00 +0.010 C ENDBRANCH 36 38 ENDBRANCH 29 32 ENDBRANCH 27 28 ENDBRANCH 1 27 TORSDOF 9