REMARK Name = BDB003933 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.881 0.871 0.353 0.00 0.00 -0.047 A ATOM 2 C LIG 1 -1.799 0.061 1.031 0.00 0.00 +0.004 A ATOM 3 C LIG 1 -3.013 -0.294 0.432 0.00 0.00 +0.010 A ATOM 4 C LIG 1 -3.332 0.149 -0.858 0.00 0.00 +0.004 A ATOM 5 C LIG 1 -2.406 0.956 -1.534 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -1.192 1.312 -0.937 0.00 0.00 +0.004 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.584 -0.203 -1.508 0.00 0.00 +0.113 A ATOM 8 N LIG 1 -4.960 0.262 -2.744 0.00 0.00 -0.129 NA ATOM 9 N LIG 1 -6.148 -0.247 -3.038 0.00 0.00 -0.064 NA ATOM 10 N LIG 1 -6.522 -1.030 -2.008 0.00 0.00 -0.239 N ATOM 11 C LIG 1 -5.577 -1.026 -1.022 0.00 0.00 +0.139 A BRANCH 10 12 ATOM 12 C LIG 1 -7.832 -1.666 -2.046 0.00 0.00 +0.195 C ATOM 13 C LIG 1 -7.920 -2.860 -1.111 0.00 0.00 +0.244 C ATOM 14 O LIG 1 -7.267 -3.886 -1.314 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -8.681 -2.807 0.027 0.00 0.00 -0.255 N ATOM 16 H LIG 1 -8.403 -3.644 0.533 0.00 0.00 +0.158 HD ATOM 17 C LIG 1 -8.567 -1.740 0.879 0.00 0.00 +0.219 C ATOM 18 O LIG 1 -7.869 -1.799 1.885 0.00 0.00 -0.275 OA ATOM 19 C LIG 1 -9.431 -0.550 0.544 0.00 0.00 +0.096 C ATOM 20 C LIG 1 -8.997 0.200 -0.700 0.00 0.00 +0.012 C ATOM 21 C LIG 1 -8.995 -0.666 -1.958 0.00 0.00 +0.037 C ENDBRANCH 10 12 ENDBRANCH 4 7 BRANCH 1 22 ATOM 22 C LIG 1 0.438 1.235 0.990 0.00 0.00 +0.035 C BRANCH 22 23 ATOM 23 C LIG 1 1.523 0.208 0.661 0.00 0.00 +0.005 C BRANCH 23 24 ATOM 24 C LIG 1 2.859 0.494 1.352 0.00 0.00 +0.000 C BRANCH 24 25 ATOM 25 C LIG 1 3.519 1.831 0.998 0.00 0.00 +0.002 C BRANCH 25 26 ATOM 26 C LIG 1 3.766 2.076 -0.496 0.00 0.00 +0.019 C BRANCH 26 27 ATOM 27 C LIG 1 4.711 1.078 -1.164 0.00 0.00 +0.107 C BRANCH 27 29 ATOM 28 C LIG 1 6.661 0.283 0.137 0.00 0.00 +0.401 C ATOM 29 N LIG 1 6.063 1.200 -0.671 0.00 0.00 -0.281 N ATOM 30 H LIG 1 6.620 2.011 -0.901 0.00 0.00 +0.152 HD ATOM 31 O LIG 1 6.151 -0.754 0.527 0.00 0.00 -0.226 OA BRANCH 28 32 ATOM 32 O LIG 1 7.907 0.721 0.433 0.00 0.00 -0.445 OA BRANCH 32 34 ATOM 33 C LIG 1 10.071 0.768 1.386 0.00 0.00 +0.055 C ATOM 34 C LIG 1 8.777 -0.056 1.296 0.00 0.00 +0.107 C ATOM 35 C LIG 1 9.107 -1.418 0.675 0.00 0.00 +0.055 C ATOM 36 C LIG 1 8.187 -0.194 2.704 0.00 0.00 +0.055 C ENDBRANCH 32 34 ENDBRANCH 28 32 ENDBRANCH 27 29 ENDBRANCH 26 27 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 22 23 ENDBRANCH 1 22 TORSDOF 11