REMARK Name = BDB023007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.435 -1.093 2.627 0.00 0.00 +0.028 C ATOM 2 C LIG 1 -1.258 0.248 1.901 0.00 0.00 +0.078 C ATOM 3 N LIG 1 -1.157 0.057 0.442 0.00 0.00 -0.294 N ATOM 4 C LIG 1 -2.266 -0.078 -0.405 0.00 0.00 +0.220 C ATOM 5 O LIG 1 -2.170 -0.701 -1.465 0.00 0.00 -0.275 OA ATOM 6 C LIG 1 0.077 -0.567 -0.046 0.00 0.00 +0.143 C ATOM 7 C LIG 1 1.318 -0.176 0.719 0.00 0.00 -0.022 A ATOM 8 C LIG 1 1.252 0.561 1.899 0.00 0.00 -0.023 A ATOM 9 C LIG 1 2.446 0.864 2.534 0.00 0.00 +0.117 A ATOM 10 N LIG 1 3.662 0.472 2.092 0.00 0.00 -0.240 NA ATOM 11 C LIG 1 3.722 -0.249 0.955 0.00 0.00 +0.120 A ATOM 12 C LIG 1 2.574 -0.596 0.256 0.00 0.00 +0.049 A ATOM 13 C LIG 1 -0.061 1.051 2.433 0.00 0.00 +0.059 C ENDROOT BRANCH 4 14 ATOM 14 C LIG 1 -3.577 0.610 0.020 0.00 0.00 +0.085 C ATOM 15 C LIG 1 -4.784 0.194 -0.874 0.00 0.00 +0.045 C ATOM 16 C LIG 1 -5.262 1.339 -1.804 0.00 0.00 +0.093 C ATOM 17 N LIG 1 -4.111 2.014 -2.404 0.00 0.00 -0.305 NA ATOM 18 C LIG 1 -4.495 2.891 -3.505 0.00 0.00 +0.104 C ATOM 19 C LIG 1 -3.284 2.709 -1.417 0.00 0.00 +0.085 C ATOM 20 C LIG 1 -3.396 2.136 0.003 0.00 0.00 +0.029 C BRANCH 15 21 ATOM 21 C LIG 1 -5.932 -0.349 -0.021 0.00 0.00 -0.042 A ATOM 22 C LIG 1 -6.669 0.476 0.843 0.00 0.00 +0.004 A ATOM 23 C LIG 1 -7.697 -0.052 1.631 0.00 0.00 +0.000 A ATOM 24 C LIG 1 -7.997 -1.412 1.568 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -7.270 -2.245 0.720 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -6.242 -1.719 -0.068 0.00 0.00 +0.004 A ENDBRANCH 15 21 ENDBRANCH 4 14 BRANCH 11 27 ATOM 27 N LIG 1 5.015 -0.630 0.594 0.00 0.00 -0.315 N ATOM 28 H LIG 1 5.620 -0.170 1.273 0.00 0.00 +0.148 HD BRANCH 27 29 ATOM 29 C LIG 1 5.641 -0.784 -0.708 0.00 0.00 +0.105 C ATOM 30 C LIG 1 5.026 0.062 -1.856 0.00 0.00 +0.192 C ATOM 31 O LIG 1 4.368 -1.098 -2.431 0.00 0.00 -0.375 OA ATOM 32 C LIG 1 5.093 -1.980 -1.532 0.00 0.00 +0.192 C BRANCH 29 33 ATOM 33 C LIG 1 7.225 -0.707 -0.474 0.00 0.00 -0.020 A ATOM 34 C LIG 1 7.943 0.504 -0.595 0.00 0.00 +0.006 A ATOM 35 C LIG 1 9.324 0.575 -0.380 0.00 0.00 +0.000 A ATOM 36 C LIG 1 10.032 -0.569 -0.024 0.00 0.00 +0.000 A ATOM 37 C LIG 1 9.359 -1.778 0.120 0.00 0.00 +0.000 A ATOM 38 C LIG 1 7.979 -1.841 -0.099 0.00 0.00 +0.006 A ENDBRANCH 29 33 ENDBRANCH 27 29 ENDBRANCH 11 27 TORSDOF 5